SCHEMBL439071

SCHEMBL439071

Cc1ccc(Cl)c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK7 Q13164 1/20 0.48
DHODH Q02127 3/20 0.47
KCNQ3 O43525 5/20 0.46
KCNQ2 O43526 5/20 0.46
KCNE1 P15382 4/20 0.46
KCNQ1 P51787 4/20 0.46
KCNQ5 Q9NR82 3/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CRACR2A Q9BSW2 1/20 0.45

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
SCHEMBL13133446 0.90 KCNQ3 (0.53) IL2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8230263 0.89 IL2 (0.50) IL2MEN1KMT2ADHODHKCNQ3
SCHEMBL15395780 0.87 MAPK7 (0.53) IL2MEN1KMT2AMAPK7DHODH
SCHEMBL454031 0.85 IL2 (0.71) IL2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL15395892 0.84 STIM1 (0.63) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL16363192 0.82 IL2 (0.71) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL15395974 0.81 L3MBTL1 (0.49) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL13133468 0.81 IL2 (0.52) IL2KMT2ASTIM1ORAI1ORAI2
SCHEMBL2813597 0.80 IL2 (0.48) IL2STIM1ORAI1ORAI2LMNA
SCHEMBL2812935 0.80 IL2 (0.54) IL2LMNARAB9ANPC1CRACR2A

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 IL2 24/4885MEN1 4480/4885KMT2A 2484/4885
US-20140187586-A1 PYRIDYLPHENYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCR3, NLRP1 IL2 77/4885MEN1 4056/4885KMT2A 4055/4885

“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.