SCHEMBL439072

SCHEMBL439072

Cc1ccc(Cl)c(-c2ccc(N)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
KDM1A O60341 3/20 0.43
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DHODH Q02127 2/20 0.39
JAK2 O60674 1/20 0.38
SMO Q99835 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CYP3A4 P08684 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9901481 0.87 CCR1 (0.48) KDM4EPOLBKDM1ACCR1CCR5
SCHEMBL9901550 0.86 CCR1 (0.56) POLBKDM1ACCR1CCR5CCR8
SCHEMBL14988155 0.83 ALDH1A1 (0.44) KDM4EPOLBCCR1CCR5CCR8
SCHEMBL14988228 0.80 PTGS2 (0.40) KDM4EKDM1ACYP3A4NPC1TP53
SCHEMBL14988315 0.80 KDM1A (0.43) KDM1ACCR1CCR5CCR8HDAC6
SCHEMBL15395869 0.79 HTR2B (0.40) KDM4EPOLBDHODHJAK2PLA2G7
SCHEMBL14988675 0.79 CCR1 (0.38) KDM4EPOLBKDM1ACCR1CCR5
SCHEMBL14988146 0.77 DHFR (0.45) KDM1ANPC1RAB9AMEN1KMT2A
SCHEMBL14988261 0.76 ALOX5AP (0.40) KDM4EPOLBKDM1AMEN1KMT2A
SCHEMBL10080526 0.76 KDM1A (0.66) KDM1AJAK2SMOTP53SMN1; SMN2

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-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-07-03 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 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 (2 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-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP KDM4E 861/4885POLB 4506/4885KDM1A 739/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 KDM4E 1148/4885POLB 4375/4885KDM1A 1458/4885

“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.