SCHEMBL9961399

SCHEMBL9961399

CN(C)C=C(C(=O)c1ccccc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.46
PLOD2 O00469 1/20 0.46
PLOD3 O60568 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLOD1 Q02809 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL14519363 1.00 KMT2A (0.50) KMT2AMEN1LMNAKDM4EHTT
SCHEMBL5216998 0.90 CES2 (0.50) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL5216994 0.90 CES2 (0.50) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL17088194 0.86 LMNA (0.46) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6102525 0.84 CYP11B1 (0.52) KMT2AMEN1HTTALDH1A1CYP1A2
SCHEMBL2924909 0.84 LTA4H (0.53) KMT2AMEN1KDM4EHTTCYP1A2
SCHEMBL4098983 0.84 CYP11B1 (0.52) KMT2AMEN1HTTALDH1A1CYP1A2
SCHEMBL15733269 0.84 LMNA (0.53) KMT2ALMNAKDM4EHTTALDH1A1
SCHEMBL2924907 0.84 LTA4H (0.53) KMT2AMEN1KDM4EHTTCYP1A2
SCHEMBL15733270 0.84 LMNA (0.53) KMT2ALMNAKDM4EHTTALDH1A1

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-8536164-B2 Fused pyridine compounds as casein kinase inhibitors PFIZER INC. (US) 2013-09-17 US disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 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-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E KMT2A 1752/4885MEN1 4481/4885LMNA 2509/4885

“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.