SCHEMBL65562

SCHEMBL65562

Nc1ncnn2c(C(=O)C3CCCCC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.39
PDE2A O00408 1/20 0.37
PDE3B Q13370 1/20 0.37
PIK3CD O00329 15/20 0.35
SRD5A2 P31213 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL5080389 0.83 CSNK2A2 (0.35) PDE2APDE3BPIK3CDMAP4K4
SCHEMBL14898476 0.78 PTPN2 (0.44) MAP4K4
SCHEMBL5077637 0.78 MAP4K4 (0.40) JAK3MAP4K4
SCHEMBL64693 0.75 PIK3CD (0.41) PIK3CD
SCHEMBL58535 0.75 MAP4K4 (0.39) PIK3CDAURKAMAP4K4
SCHEMBL5076546 0.71 MAP4K4 (0.39) MAP4K4
SCHEMBL27315074 0.71 MAP4K4 (0.41) PDE2APDE3BPIK3CDAURKAMAP4K4
SCHEMBL28344296 0.68 ALDH1A1 (0.44) PIK3CD
SCHEMBL25723098 0.68 DOT1L (0.33) PDE2APDE3BPIK3CD
SCHEMBL31391115 0.67 MAP4K4 (0.43) PIK3CDMAP4K4

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 JAK3 719/4885PDE2A 2382/4885PDE3B 2681/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 JAK3 814/4885PDE2A 2423/4885PDE3B 2726/4885

“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.