SCHEMBL14482152

SCHEMBL14482152

CCCCn1nc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 2/20 0.50
MAPT P10636 1/20 0.50
NR1H3 Q13133 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
POLB P06746 1/20 0.46
HSF1 Q00613 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EGFR P00533 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
SCHEMBL12264902 0.87 KMT2A (0.50) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL23403222 0.81 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL9956863 0.77 KMT2A (0.67) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28015987 0.77 POLB (0.54) MEN1KMT2ACYP1A2CYP2C19POLB
SCHEMBL2561692 0.77 KMT2A (0.44) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL8888843 0.76 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTCYP2C9
SCHEMBL23401883 0.75 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL15153250 0.75 LMNA (0.45) PTGDR2
SCHEMBL23400328 0.74 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL23401098 0.74 MEN1 (0.49) MEN1KMT2ACYP1A2MAPTNR1H3

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-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 MEN1 2319/4885KMT2A 1571/4885CYP1A2 31/4885

“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.