SCHEMBL9107210

SCHEMBL9107210

CC[C@@H](Nc1ccc(C#N)c(Nc2ccc3ncccc3c2)n1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.61
AURKA O14965 2/20 0.43
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2715096 1.00 SYK (0.61) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL5026922 0.88 SYK (0.49) SYKNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2713304 0.86 SYK (0.75) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL2713310 0.86 SYK (0.75) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL2713899 0.86 SYK (0.59) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL2713904 0.86 SYK (0.59) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL14956425 0.81 SYK (0.68) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL14956428 0.81 SYK (0.68) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL5027997 0.79 SYK (0.51) SYKAURKACYP1A2ALDH1A1NPC1
SCHEMBL2714882 0.79 SYK (0.64) SYKNPC1RAB9ASMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8846928-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142671-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SYK 1/4885AURKA 1706/4885CYP1A2 2210/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SYK 1/4885AURKA 1706/4885CYP1A2 2210/4885
US-20150038492-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK SYK 1/4885AURKA 1706/4885CYP1A2 2210/4885

“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.