SCHEMBL64684

SCHEMBL64684

Cc1ccc(-c2cc(C)n3ncnc(N)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 15/20 0.51
AXL P30530 2/20 0.49
MERTK Q12866 2/20 0.49
TYRO3 Q06418 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL15826967 0.88 AXL (0.54) ACVRL1AXLMERTKTYRO3KDM4E
SCHEMBL19701791 0.80 ACVRL1 (0.44) ACVRL1AXLMERTKTYRO3
SCHEMBL19701790 0.79 PIK3CD (0.54) ACVRL1AXLMERTKTYRO3
SCHEMBL19701787 0.77 AXL (0.41) ACVRL1AXLMERTKTYRO3ALDH1A1
SCHEMBL66503 0.75 ALDH1A1 (0.43) ACVRL1AXLMERTKTYRO3ALDH1A1
SCHEMBL12365553 0.75 ALDH1A1 (0.43) ACVRL1AXLMERTKTYRO3KDM4E
SCHEMBL19701781 0.74 PIK3CD (0.51) ACVRL1AXLMERTKTYRO3
SCHEMBL279151 0.74 FGFR1 (0.49) ACVRL1KDM4EALDH1A1HPGDTSHR
SCHEMBL64680 0.74 ALDH1A1 (0.42) ACVRL1AXLMERTKTYRO3ALDH1A1
SCHEMBL19701785 0.72 PIK3CD (0.46) ACVRL1AXLMERTKTYRO3ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 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 (2 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-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885AXL 1951/4885MERTK 1749/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885AXL 2194/4885MERTK 1905/4885

“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.