SCHEMBL179322

SCHEMBL179322

CC(C)c1cnc(-n2ccnc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.40
CYP1A2 P05177 11/20 0.40
CYP2D6 P10635 11/20 0.40
TDP1 Q9NUW8 8/20 0.40
HSD17B10 Q99714 5/20 0.40
LMNA P02545 5/20 0.40
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C19 P33261 10/20 0.39
ALOX15 P16050 5/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
CYP2C9 P11712 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PIM1 P11309 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL19779311 0.87 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL19185287 0.84 LOXL2 (0.40) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL18672336 0.82 CYP3A4 (0.38) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL179316 0.78
SCHEMBL18855228 0.77 CYP3A4 (0.37) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL18708523 0.77 LMNA (0.44) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL2629369 0.77 CYP3A4 (0.42) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL24713314 0.76 LOXL2 (0.44) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL179345 0.76 CYP3A4 (0.40) CYP3A4CYP1A2CYP2D6TDP1HSD17B10
SCHEMBL136511 0.75 LOXL2 (0.42) CYP3A4CYP1A2CYP2D6TDP1HSD17B10

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 86 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-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US 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-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
WO-2009046448-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE, INC. (US) 2009-04-09 WO 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 1611/4885CYP1A2 1763/4885CYP2D6 2766/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CYP3A4 3608/4885CYP1A2 4059/4885CYP2D6 4271/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP1A2 2432/4885CYP2D6 3214/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CYP3A4 1459/4885CYP1A2 1645/4885CYP2D6 2650/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CYP3A4 1611/4885CYP1A2 1763/4885CYP2D6 2766/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP1A2 2432/4885CYP2D6 3214/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA CYP3A4 2292/4885CYP1A2 2315/4885CYP2D6 3085/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 2723/4885CYP1A2 2677/4885CYP2D6 3731/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP1A2 2432/4885CYP2D6 3214/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CYP3A4 2274/4885CYP1A2 2983/4885CYP2D6 2885/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CYP3A4 2491/4885CYP1A2 2955/4885CYP2D6 2664/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 CYP3A4 2693/4885CYP1A2 2911/4885CYP2D6 3111/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A CYP3A4 1925/4885CYP1A2 2432/4885CYP2D6 3214/4885

“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.