SCHEMBL60490

SCHEMBL60490

Nc1ncnn2c(C3CCN(C(=O)O)C3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.43
PDE3A Q14432 9/20 0.43
PDE3B Q13370 2/20 0.42
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PIK3CD O00329 1/20 0.36
DOT1L Q8TEK3 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
SCHEMBL14488121 0.94 PDE2A (0.50) PDE2APDE3APDE3B
SCHEMBL16011360 0.94 PDE2A (0.50) PDE2APDE3APDE3B
SCHEMBL5128661 0.93 CSNK2A2 (0.40) PDE2APDE3APDE3BCSNK2A2CSNK2A1
SCHEMBL5077314 0.91 PDE2A (0.44) PDE2APDE3APDE3BCSNK2A2CSNK2A1
SCHEMBL19377763 0.84 TYRO3 (0.45) PDE2APDE3ACSNK2A2CSNK2A1PIK3CD
SCHEMBL5080202 0.84 DOT1L (0.38) PDE2APDE3APDE3BCSNK2A2CSNK2A1
SCHEMBL64853 0.83 RIPK1 (0.46) PIK3CD
SCHEMBL22132928 0.81 RIPK1 (0.39) PDE2APDE3APDE3BCSNK2A2CSNK2A1
SCHEMBL5080389 0.79 CSNK2A2 (0.35) PDE2APDE3APDE3BCSNK2A2CSNK2A1
SCHEMBL5141366 0.79 PIK3CD (0.44) PDE2ACSNK2A2CSNK2A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 PDE2A 2382/4885PDE3A 2772/4885PDE3B 2681/4885

“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.