SCHEMBL64693

SCHEMBL64693

Cc1cc(C(=O)C2CCCCC2)n2ncnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.41
RIPK1 Q13546 2/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
BCL2L1 Q07817 1/20 0.36

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
SCHEMBL66411 0.78 PIK3CD (0.42) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL65562 0.75 JAK3 (0.39) PIK3CD
SCHEMBL65573 0.75 ACVRL1 (0.38) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL66408 0.74 PIK3CD (0.37) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL5172866 0.71 PIK3CD (0.41) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL14312481 0.69 RIPK1 (0.43) PIK3CDRIPK1
SCHEMBL66503 0.68 ALDH1A1 (0.43) PIK3CD
SCHEMBL14313259 0.68 RIPK1 (0.46) PIK3CDRIPK1CSNK2A2CSNK2A1
SCHEMBL24251948 0.67 BTK (0.46) CSNK2A2CSNK2A1
SCHEMBL19280465 0.66 PIK3CD (0.35) PIK3CD

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 PIK3CD 529/4885RIPK1 2081/4885CSNK2A2 1432/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 PIK3CD 608/4885RIPK1 1981/4885CSNK2A2 1470/4885

“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.