SCHEMBL16697708

SCHEMBL16697708

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.48
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
SOS1 Q07889 1/20 0.43
MAP3K7 O43318 6/20 0.41
TAB1 Q15750 6/20 0.41
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
HTR6 P50406 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL16697640 0.92 MET (0.40) METJAK1JAK3SOS1MAP3K7
SCHEMBL16697918 0.92 MET (0.40) METMAP3K7TAB1GSK3BDYRK1A
SCHEMBL16698457 0.91 MET (0.45) METJAK1MAP3K7TAB1GSK3B
SCHEMBL18045674 0.91 MET (0.39) METJAK1MAP3K7TAB1GSK3B
SCHEMBL16698267 0.90 MET (0.39) METJAK1SOS1MAP3K7TAB1
SCHEMBL16697893 0.90 MET (0.47) METJAK1MAP3K7TAB1GSK3B
SCHEMBL16697681 0.89 PTGDR2 (0.38) METJAK1MAP3K7TAB1GSK3B
SCHEMBL16697789 0.89 MAP3K7 (0.49) METMAP3K7TAB1HTR6
SCHEMBL16703533 0.89 MAP3K7 (0.41) METMAP3K7TAB1GSK3BDYRK1A
SCHEMBL16703499 0.88 HTR6 (0.39) METJAK1MAP3K7TAB1GSK3B

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 disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 EP disclosed
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 US disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 WO disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 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 (3 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 MET 3705/4885JAK1 314/4885JAK3 251/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 MET 3427/4885JAK1 513/4885JAK3 366/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 MET 3425/4885JAK1 408/4885JAK3 334/4885

“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.