SCHEMBL16697449

SCHEMBL16697449

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 7/20 0.40
TAB1 Q15750 7/20 0.40
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
JAK1 P23458 1/20 0.38
HTR6 P50406 5/20 0.38
MET P08581 2/20 0.38
PDPK1 O15530 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL16697789 0.91 MAP3K7 (0.49) MAP3K7TAB1HTR6MET
SCHEMBL16698398 0.90 MET (0.48) HTR6MET
SCHEMBL16703141 0.89 MAP3K7 (0.41) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL16698135 0.89 JAK1 (0.43) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL16697942 0.89 MAP3K7 (0.40) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL16698457 0.89 MET (0.45) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL16697712 0.88 DYRK1A (0.44) GSK3BDYRK1AHTR6METPDPK1
SCHEMBL16697893 0.87 MET (0.47) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL16697708 0.87 MET (0.48) MAP3K7TAB1GSK3BDYRK1AJAK1
SCHEMBL18045674 0.86 MET (0.39) MAP3K7TAB1GSK3BDYRK1AJAK1

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 MAP3K7 3084/4885TAB1 2564/4885GSK3B 127/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 MAP3K7 2586/4885TAB1 2489/4885GSK3B 62/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 MAP3K7 2757/4885TAB1 2259/4885GSK3B 79/4885

“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.