SCHEMBL90895

SCHEMBL90895

Nc1ncnn2c(CO)ccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 13/20 0.41
MAP4K4 O95819 1/20 0.41
PIK3CA P42336 1/20 0.37
KIT P10721 1/20 0.35
RIPK1 Q13546 2/20 0.34
TNIK Q9UKE5 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
SCHEMBL59720 0.86 ACVRL1 (0.42) ACVRL1MAP4K4KITRIPK1TNIK
SCHEMBL24236922 0.84 MAP4K4 (0.42) ACVRL1MAP4K4PIK3CAKITRIPK1
SCHEMBL59361 0.83 ACVRL1 (0.52) ACVRL1MAP4K4KITRIPK1TNIK
SCHEMBL5077202 0.82 ACVRL1 (0.53) ACVRL1MAP4K4KITRIPK1TNIK
SCHEMBL65554 0.82 MAP4K4 (0.41) ACVRL1MAP4K4RIPK1TNIK
SCHEMBL23885102 0.80 RIPK1 (0.38) ACVRL1MAP4K4RIPK1TNIK
SCHEMBL14488045 0.79 ACVRL1 (0.48) ACVRL1MAP4K4RIPK1TNIK
SCHEMBL24312569 0.78 MAP4K4 (0.38) ACVRL1MAP4K4PIK3CARIPK1TNIK
SCHEMBL25008853 0.78 RIPK1 (0.33) ACVRL1MAP4K4PIK3CARIPK1
SCHEMBL24982191 0.78 ADORA2A (0.35) ACVRL1MAP4K4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 US 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 (4 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK ACVRL1 4575/4885MAP4K4 55/4885PIK3CA 186/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ACVRL1 941/4885MAP4K4 147/4885PIK3CA 207/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ACVRL1 963/4885MAP4K4 151/4885PIK3CA 245/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK ACVRL1 4575/4885MAP4K4 55/4885PIK3CA 186/4885

“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.