SCHEMBL4994720

SCHEMBL4994720

COc1ccccc1NC(=O)COc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
MAPK10 P53779 1/20 0.40
UBE2N P61088 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4999676 0.92 KMT2A (0.48) RPS6KA3RPS6KA2KMT2AMEN1RAB9A
SCHEMBL5000181 0.92 LMNA (0.44) KMT2AMEN1RAB9ATSHRUSP2
SCHEMBL5000532 0.91 CDK4 (0.51) RPS6KA3RPS6KA2KMT2AMEN1CDK4
SCHEMBL4996893 0.88 SMN1; SMN2 (0.42) RPS6KA3RPS6KA2KMT2AMEN1RAB9A
SCHEMBL4997131 0.87 KMT2A (0.52) RPS6KA3RPS6KA2KMT2AMEN1CDK4
SCHEMBL4991477 0.87 MAPT (0.44) SMN1; SMN2MAPTKDM4ETP53GAA
SCHEMBL4999839 0.86 NSD2 (0.47) RPS6KA3RPS6KA2KMT2AMEN1CDK4
SCHEMBL4999698 0.85 CYP1A2 (0.47) RPS6KA3RPS6KA2KMT2AMEN1TSHR
SCHEMBL4994570 0.84 AMY1A (0.53) KMT2AMEN1CDK4CCND1POLB
SCHEMBL4991802 0.84 LMNA (0.50) KMT2AMEN1RAB9ATSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 RPS6KA3 76/4885RPS6KA2 37/4885KMT2A 1490/4885

“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.