SCHEMBL15317751

SCHEMBL15317751

CC(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.61
TEK Q02763 1/20 0.61
DEGS1 O15121 1/20 0.55
PTK2 Q05397 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 2/20 0.48
GAA P10253 1/20 0.48
KIF11 P52732 1/20 0.47
PARP1 P09874 1/20 0.46
DHODH Q02127 1/20 0.46
TDO2 P48775 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CG P48736 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL2733246 0.87 PTK2 (0.59) EPHB4TEKDEGS1PTK2NPC1
SCHEMBL15394357 0.84 RXRA (0.50) EPHB4TEKDEGS1PTK2CYP1A2
SCHEMBL30338494 0.82 PTK2 (0.57) DEGS1PTK2CYP1A2GAAPARP1
SCHEMBL10195598 0.82 PTK2 (0.57) PTK2RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL28118455 0.79 PTK2 (0.54) DEGS1PTK2CYP1A2GAAPARP1
SCHEMBL17809713 0.78 DEGS1 (0.54) DEGS1PTK2CYP1A2GAAPARP1
SCHEMBL22975368 0.78 PTK2 (0.56) PTK2CYP1A2GAAPARP1DHODH
SCHEMBL17317003 0.78 TDO2 (0.58) TEKPTK2RAB9ACYP1A2GAA
SCHEMBL11165798 0.77 EPHB4 (0.49) EPHB4TEKDEGS1NPC1RAB9A
SCHEMBL26241980 0.76 PTK2 (0.54) DEGS1PTK2NPC1RAB9ASMN1; SMN2

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 EPHB4 3078/4885TEK 1255/4885DEGS1 3273/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 EPHB4 3952/4885TEK 1070/4885DEGS1 3395/4885

“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.