Sugi Predict

Sugi Predict / Compounds / SCHEMBL179345

SCHEMBL179345

SCHEMBL179345

CC(C)c1cncc(-n2ccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CD38 P28907 1/20 0.39
▸ TDP1 Q9NUW8 5/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP11B1 P15538 3/20 0.37
▸ CYP11B2 P19099 3/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NPC1 O15118 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18855229 0.84 LOXL2 (0.37) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL18672478 0.82 CD38 (0.35) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL16265230 0.78 CYP3A4 (0.44) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL9885012 0.77 CYP3A4 (0.42) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL179322 0.76 CYP3A4 (0.40) CYP3A4CYP2A6TDP1CYP1A2CYP2D6
SCHEMBL18855173 0.74 CD38 (0.40) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL13882361 0.73 CYP3A4 (0.40) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL18708288 0.73 LMNA (0.44) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL15306644 0.72 CD38 (0.39) CYP3A4CYP2A6CD38TDP1CYP1A2
SCHEMBL19564463 0.72 MAPT (0.48) CYP3A4CYP2A6TDP1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 — — US disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 — — EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 — — US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 — — US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 — — US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CYP3A4 1611/4885CYP2A6 2476/4885CD38 433/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CYP3A4 3608/4885CYP2A6 3856/4885CD38 1348/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP2A6 2926/4885CD38 695/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CYP3A4 1459/4885CYP2A6 2525/4885CD38 390/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CYP3A4 1611/4885CYP2A6 2476/4885CD38 433/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP3A4 1656/4885CYP2A6 2986/4885CD38 609/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP2A6 2926/4885CD38 695/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP3A4 1656/4885CYP2A6 2986/4885CD38 609/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA CYP3A4 2292/4885CYP2A6 3006/4885CD38 673/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 2723/4885CYP2A6 3392/4885CD38 1399/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CYP3A4 2274/4885CYP2A6 2896/4885CD38 960/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CYP3A4 2491/4885CYP2A6 2823/4885CD38 749/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP3A4 2693/4885CYP2A6 3364/4885CD38 1626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.