SCHEMBL4547700

SCHEMBL4547700

Cc1ncc([C@@H](C)NC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP17A1 P05093 2/20 0.41
CYP3A4 P08684 2/20 0.41
B3GNT2 Q9NY97 2/20 0.41
PDE2A O00408 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
PPARG P37231 4/20 0.40
AKT1 P31749 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2748995 0.84 NR1H4 (0.52) NR1H4MEN1KMT2ALMNAMAPK1
SCHEMBL2750327 0.84 NR1H4 (0.52) NR1H4MEN1KMT2ALMNAMAPK1
SCHEMBL2750176 0.79 ROCK2 (0.52) NR1H4MEN1KMT2ALMNAMAPK1
SCHEMBL4547701 0.79 NR1H4 (0.49) NR1H4MEN1KMT2ALMNAMAPK1
SCHEMBL2903698 0.78 NR1H4 (0.56) NR1H4MEN1KMT2ALMNAMAPK1
SCHEMBL2361366 0.75 KMT2A (0.44) NR1H4MEN1KMT2ALMNACYP17A1
SCHEMBL1754353 0.75 KMT2A (0.44) NR1H4MEN1KMT2ALMNACYP17A1
SCHEMBL21467201 0.75 CYP17A1 (0.57) NR1H4MEN1KMT2ALMNACYP17A1
SCHEMBL263827 0.74 NR1H4 (0.48) NR1H4MEN1KMT2ACYP17A1CYP3A4
SCHEMBL14378392 0.74 CYP17A1 (0.41) NR1H4MEN1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 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-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 NR1H4 665/4885MEN1 1555/4885KMT2A 2933/4885

“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.