SCHEMBL18045678

SCHEMBL18045678

Clc1ccc(-n2cc(-c3c[nH]c4ccccc34)cn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.80
▸ ALOX5 P09917 1/20 0.53
▸ IMPDH2 P12268 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 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
SCHEMBL18045679 0.89 GRM4 (1.00) GRM4IMPDH2MAPK1HSD17B10MEN1
SCHEMBL16703485 0.87 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10HTR2B
SCHEMBL18045684 0.87 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10MEN1
SCHEMBL18045673 0.87 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10MEN1
SCHEMBL18045677 0.84 GRM4 (0.74) GRM4MAPK1MEN1KMT2AALDH1A1
SCHEMBL11515884 0.76 ALOX5 (0.71) ALOX5IMPDH2MAPK1HSD17B10MEN1
SCHEMBL31517697 0.76 ALOX5 (0.71) ALOX5IMPDH2MAPK1HSD17B10MEN1
SCHEMBL16703358 0.75 GRM4 (0.65) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL18045672 0.71 GRM4 (0.60) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL18045685 0.71 GRM4 (0.60) GRM4IMPDH2MAPK1HSD17B10MEN1

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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 — — US claimed
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 — — 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 (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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 GRM4 1668/4885ALOX5 535/4885IMPDH2 1348/4885

“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.

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