SCHEMBL5015389

SCHEMBL5015389

O=C(Cc1ccccc1)Nc1ncc2cn[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ CDK2 P24941 6/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCNE1 P24864 5/20 0.46
▸ CDK5 Q00535 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ WNT3A P56704 1/20 0.44

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
SCHEMBL5015439 0.86 TSHR (0.56) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL5013515 0.81 CCNE1 (0.50) CDK2CCNE1ALDH1A1MEN1KMT2A
SCHEMBL5017650 0.78 NPC1 (0.55) CDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL13731141 0.77 DEGS1 (0.54) DEGS1EPHX2CDK2CCNA2CCNE1
SCHEMBL5014078 0.73 SMN1; SMN2 (0.57) DEGS1ALDH1A1KMT2AHDAC3HDAC4
SCHEMBL31412961 0.72 ROCK2 (0.47) CDK2CCNA2ADORA3ADORA1POLB
SCHEMBL16061776 0.71 EPHX2 (0.50) DEGS1EPHX2CDK2CCNE1CDK5
SCHEMBL2492016 0.71 EPHX2 (0.58) DEGS1EPHX2CDK2CCNE1CDK5
SCHEMBL13934555 0.71 EPHX2 (0.53) DEGS1EPHX2CDK2CCNE1CDK5
SCHEMBL6774592 0.70 MAPT (0.51) ALDH1A1MAPK1HSD17B10MEN1KMT2A

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 DEGS1 4692/4885EPHX2 3963/4885CDK2 222/4885

“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