SCHEMBL18045672

SCHEMBL18045672

CC(C)(C)n1cc(-c2c[nH]c3ccccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.60
▸ IMPDH2 P12268 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ NR4A2 P43354 1/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ TDO2 P48775 9/20 0.44
▸ PDK2 Q15119 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ KDR P35968 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
SCHEMBL16703358 0.81 GRM4 (0.65) GRM4IMPDH2MAPK1HSD17B10SIRT2
SCHEMBL18045685 0.77 GRM4 (0.60) GRM4IMPDH2MAPK1HSD17B10SIRT2
SCHEMBL18045679 0.75 GRM4 (1.00) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL18045673 0.74 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10SIRT2
SCHEMBL18045684 0.71 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL18045678 0.71 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL16703485 0.71 GRM4 (0.80) GRM4IMPDH2MAPK1HSD17B10NR4A2
SCHEMBL18045677 0.71 GRM4 (0.74) GRM4MAPK1PDGFRBPDGFRAKDR
SCHEMBL28377762 0.70 NR4A2 (0.81) GRM4IMPDH2MAPK1HSD17B10SIRT2
3-Phenylindole SCHEMBL84056 0.69 IMPDH2 (0.71) GRM4IMPDH2MAPK1HSD17B10SIRT2

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 1668/4885IMPDH2 1348/4885MAPK1 2392/4885

“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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