SCHEMBL16703485

SCHEMBL16703485

Fc1ccc(-n2cc(-c3c[nH]c4ccccc34)cn2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 7/20 0.80
▸ NR4A2 P43354 1/20 0.60
▸ IMPDH2 P12268 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDGFRB P09619 2/20 0.45
▸ HTR2B P41595 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDGFRA P16234 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDO2 P48775 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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) GRM4NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL18045684 0.87 GRM4 (0.80) GRM4NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL18045678 0.87 GRM4 (0.80) GRM4NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL18045673 0.87 GRM4 (0.80) GRM4NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL18045677 0.84 GRM4 (0.74) GRM4MAPK1PDGFRBKCNH2PDGFRA
SCHEMBL16697120 0.79 TDO2 (0.56) GRM4IMPDH2TDO2HTR6
SCHEMBL1879218 0.76 NR4A2 (1.00) NR4A2IMPDH2MAPK1HSD17B10PDGFRB
SCHEMBL16698113 0.76 TDO2 (0.66) GRM4TDO2HTR6
SCHEMBL16703358 0.75 GRM4 (0.65) GRM4NR4A2IMPDH2MAPK1HSD17B10
SCHEMBL16698249 0.74 TDO2 (0.51) GRM4TDO2HTR6

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 6 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
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 — — EP claimed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — WO 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
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 — — EP disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — WO 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 1668/4885NR4A2 2622/4885IMPDH2 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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