SCHEMBL5013515

SCHEMBL5013515

O=C(CNc1ccccc1)Nc1ncc2cn[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 11/20 0.50
▸ CDK2 P24941 10/20 0.50
▸ CDK3 Q00526 9/20 0.50
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ ERCC1 P07992 1/20 0.44
▸ ERCC4 Q92889 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39

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
SCHEMBL5015389 0.81 DEGS1 (0.48) CCNE1CDK2ADORA3ADORA1MEN1
SCHEMBL28340206 0.81 MAP3K5 (0.51) CCNE1CDK2CDK3ADORA3ADORA1
SCHEMBL5022949 0.81 ADORA3 (0.43) CCNE1CDK2CDK3ADORA3ADORA1
SCHEMBL5017650 0.76 NPC1 (0.55) CDK2ADORA3ADORA1MEN1ALDH1A1
SCHEMBL3415683 0.74 CDK2 (0.55) CCNE1CDK2MAPTRAB9AAURKA
SCHEMBL3651264 0.73 ROCK2 (0.43) CDK2MEN1MAPTRAB9AKMT2A
SCHEMBL5014078 0.71 SMN1; SMN2 (0.57) ALDH1A1LMNAMAPTRAB9AKMT2A
SCHEMBL1561387 0.71 MAPT (0.70) ERCC1ERCC4MEN1ALDH1A1LMNA
SCHEMBL31412961 0.70 ROCK2 (0.47) CDK2ADORA3ADORA1ROCK2ROCK1
Hydrochloric Acid SCHEMBL11858514 0.69 MAPT (0.68) ERCC1ERCC4MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 CCNE1 2656/4885CDK2 222/4885CDK3 325/4885

“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.

Send feedback