SCHEMBL13314752

SCHEMBL13314752

CC(=O)Nc1c[nH]nc1-c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIMK1 P53667 2/20 0.35
LIMK2 P53671 2/20 0.35
TESK1 Q15569 1/20 0.35
TESK2 Q96S53 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
KIF11 P52732 1/20 0.34
CHUK O15111 1/20 0.34
ROCK2 O75116 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL3579872 0.80 ALDH1A1 (0.47) KMT2AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL22258774 0.76 CCNE2 (0.54) KMT2AALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL13314759 0.73 MCL1 (0.54) KMT2AALDH1A1SMN1; SMN2CYP1A2HDAC3
SCHEMBL20161590 0.71 IRAK4 (0.40) ALDH1A1SMN1; SMN2ROCK2HDAC1HDAC8
SCHEMBL13314753 0.70 HTT (0.41) KMT2AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL24780233 0.70 IRAK4 (0.36) KMT2AALDH1A1GAASMN1; SMN2HDAC3
SCHEMBL3584065 0.68 HSP90AA1 (0.39) ALDH1A1GAAKDM4ECYP1A2
SCHEMBL8262317 0.68 ALDH1A1 (0.42) ALDH1A1CYP1A2CCNE2CCNE1CDK2
SCHEMBL29132841 0.67 NISCH (0.37) KMT2AALDH1A1KDM4ECYP1A2CHUK
SCHEMBL30703605 0.67 NISCH (0.37) KMT2AALDH1A1KDM4ECYP1A2CHUK

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 KMT2A 586/4885ALDH1A1 3914/4885GAA 4390/4885

“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.