SCHEMBL351077

SCHEMBL351077

NC(=O)C1C2CCC(C2)C1Nc1[nH]c(Nc2ccc(N3CCOCC3)cc2)nc2ncnc1-2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.42
ALK Q9UM73 4/20 0.40
INSR P06213 2/20 0.40
JAK2 O60674 4/20 0.39
TBK1 Q9UHD2 2/20 0.39
EML4 Q9HC35 2/20 0.39
PIK3CA P42336 5/20 0.38
MTOR P42345 5/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
KDR P35968 2/20 0.38
AURKB Q96GD4 2/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
FLT3 P36888 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
SCHEMBL350535 0.94 SYK (0.41) SYKJAK2KDRAURKB
SCHEMBL1306157 0.89 INSR (0.51) ALKINSRKDRAURKB
SCHEMBL1305373 0.82 INSR (0.43) ALKINSR
SCHEMBL1305751 0.81 JAK2 (0.44) SYKALKINSRJAK2TBK1
SCHEMBL352309 0.80 SYK (0.42) SYKKDRAURKB
SCHEMBL352724 0.80 SYK (0.37) SYKALKJAK2KDRAURKB
SCHEMBL1305758 0.75 SYK (0.42) SYKJAK2KDRAURKB
SCHEMBL4411964 0.75 TTBK1 (0.49) SYKINSRJAK2TBK1KDR
SCHEMBL351023 0.74 ADORA3 (0.45) SYKJAK2KDR
SCHEMBL10171163 0.72 JAK3 (0.60) SYKPIK3CBTTBK1TTBK2

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
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP claimed
EP-1960372-A1 KINASE INHIBITORS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-08-27 EP claimed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO claimed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
US-9096542-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN SYK 2/4885ALK 230/4885INSR 996/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN SYK 2/4885ALK 230/4885INSR 996/4885

“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.