SCHEMBL66503

SCHEMBL66503

Cc1cc(C)n2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 6/20 0.39
ACVRL1 P37023 8/20 0.37
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
RET P07949 2/20 0.35
KDR P35968 1/20 0.35
TYRO3 Q06418 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
SCHEMBL12365553 0.85 ALDH1A1 (0.43) ALDH1A1PIK3CDACVRL1AXLMERTK
SCHEMBL64680 0.83 ALDH1A1 (0.42) ALDH1A1PIK3CDACVRL1AXLMERTK
SCHEMBL19280465 0.81 PIK3CD (0.35) ALDH1A1PIK3CDACVRL1RETKDR
SCHEMBL19698013 0.81 PIK3CD (0.35) ALDH1A1PIK3CDACVRL1RETKDR
SCHEMBL24393051 0.80 ALDH1A1 (0.46) ALDH1A1KDR
SCHEMBL65572 0.79 ACVRL1 (0.45) PIK3CDACVRL1AXLMERTK
SCHEMBL26505471 0.79 PIK3CD (0.34) ALDH1A1PIK3CDACVRL1RETKDR
SCHEMBL26690322 0.79 ACVRL1 (0.52) PIK3CDACVRL1RETKDR
SCHEMBL14647493 0.79 ACVRL1 (0.39) ALDH1A1PIK3CDACVRL1AXLMERTK
SCHEMBL18374578 0.79 ALDH1A1 (0.39) ALDH1A1PIK3CDACVRL1AXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed
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 (5 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 ALDH1A1 3131/4885PIK3CD 14/4885ACVRL1 2053/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ALDH1A1 3325/4885PIK3CD 529/4885ACVRL1 941/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ALDH1A1 3327/4885PIK3CD 608/4885ACVRL1 963/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 ALDH1A1 4203/4885PIK3CD 6/4885ACVRL1 3003/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 ALDH1A1 4203/4885PIK3CD 6/4885ACVRL1 3003/4885

“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.