Sugi Predict

Sugi Predict / Compounds / SCHEMBL136511

SCHEMBL136511

SCHEMBL136511

CCc1cnc(-n2ccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ CYP3A4 P08684 10/20 0.41
▸ CYP2D6 P10635 8/20 0.41
▸ CYP1A2 P05177 7/20 0.41
▸ CYP2C19 P33261 6/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ IDO1 P14902 1/20 0.37

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
SCHEMBL2629369 0.79 CYP3A4 (0.42) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL9925947 0.79 POLB (0.31) —
SCHEMBL24342381 0.77 CYP3A4 (0.56) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL19413080 0.77 LOXL2 (0.37) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL19185287 0.77 LOXL2 (0.40) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL18855173 0.76 CD38 (0.40) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL2628921 0.76 CYP11B1 (0.40) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL20725909 0.76 LOXL2 (0.40) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL18708523 0.76 LMNA (0.44) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL179322 0.75 CYP3A4 (0.40) LOXL2CYP3A4CYP2D6CYP1A2CYP2C19

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 14 patents. 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 — — US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 — — US disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators INFINITY PHARMACEUTICALS, INC. (US) 2014-12-25 — — US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 — — US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 — — US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 — — US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 — — US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 — — 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 (10 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP LOXL2 4738/4885CYP3A4 976/4885CYP2D6 3249/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP LOXL2 4211/4885CYP3A4 1563/4885CYP2D6 3346/4885
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators PIK3CA, MCL1, PIK3CB LOXL2 2917/4885CYP3A4 2491/4885CYP2D6 2664/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A LOXL2 3335/4885CYP3A4 1925/4885CYP2D6 3214/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD LOXL2 1995/4885CYP3A4 1459/4885CYP2D6 2650/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP LOXL2 4211/4885CYP3A4 1563/4885CYP2D6 3346/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LOXL2 3047/4885CYP3A4 2016/4885CYP2D6 3267/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A LOXL2 3335/4885CYP3A4 1925/4885CYP2D6 3214/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885

“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.