SCHEMBL4232702

SCHEMBL4232702

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)c2cc[nH]n2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.46
KMT2A Q03164 2/20 0.40
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALPL P05186 1/20 0.38
STK25 O00506 1/20 0.37
TP53 P04637 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNA1 P78396 3/20 0.36
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
DHPS P49366 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2915071 0.85 AURKA (0.48) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2922576 0.85 AURKA (0.51) AURKAKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2920863 0.84 AURKA (0.50) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2944470 0.84 AURKA (0.46) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2923429 0.83 RAB9A (0.48) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL4232704 0.82 AURKA (0.67) AURKACCNA2CDK2CCNA1
SCHEMBL2918786 0.82 MAPT (0.49) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2922301 0.81 AURKA (0.51) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2915730 0.81 AURKA (0.49) AURKAKMT2AF2SMN1; SMN2NPC1
SCHEMBL2924944 0.80 AURKA (0.70) AURKAKMT2ANPC1RAB9ARECQL

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-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 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-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885KMT2A 3607/4885F2 3855/4885

“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.