SCHEMBL16703533

SCHEMBL16703533

CS(=O)(=O)CCC(=O)N1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 11/20 0.41
TAB1 Q15750 11/20 0.41
MET P08581 6/20 0.39
HTR6 P50406 2/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL16703716 0.95 MAP3K7 (0.42) MAP3K7TAB1METHTR6HTR2A
SCHEMBL18045674 0.92 MET (0.39) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16697681 0.92 PTGDR2 (0.38) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16698457 0.91 MET (0.45) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16697640 0.90 MET (0.40) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16698267 0.90 MET (0.39) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16697893 0.89 MET (0.47) MAP3K7TAB1METHTR6HTR2A
SCHEMBL16697708 0.89 MET (0.48) MAP3K7TAB1METHTR6GSK3B
SCHEMBL16697789 0.88 MAP3K7 (0.49) MAP3K7TAB1METHTR6
SCHEMBL16697918 0.87 MET (0.40) MAP3K7TAB1METHTR6GSK3B

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 3 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 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 MAP3K7 2586/4885TAB1 2489/4885MET 3427/4885

“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.