SCHEMBL1306157

SCHEMBL1306157

NC(=O)C1C2C=CC(C2)C1Nc1[nH]c(Nc2ccc(N3CCOCC3)cc2)nc2ncnc1-2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.51
ALK Q9UM73 7/20 0.51
CYP3A4 P08684 2/20 0.46
IRAK4 Q9NWZ3 12/20 0.46
MAP3K7 O43318 4/20 0.45
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL1305373 0.93 INSR (0.43) INSRALKCYP3A4IRAK4MAP3K7
SCHEMBL351077 0.89 SYK (0.42) INSRALKKDRAURKB
SCHEMBL350535 0.83 SYK (0.41) KDRAURKB
SCHEMBL1306923 0.81 IRAK4 (0.42) INSRALKIRAK4MAP3K7KDR
SCHEMBL351558 0.81 INSR (0.52) INSRALKCYP3A4IRAK4MAP3K7
SCHEMBL350889 0.81 IRAK4 (0.41) IRAK4MAP3K7KDRAURKB
SCHEMBL350890 0.81 IRAK4 (0.41) IRAK4MAP3K7KDRAURKB
SCHEMBL1307044 0.81 DYRK1A (0.39) INSRALKIRAK4MAP3K7KDR
SCHEMBL1305159 0.81 IRAK4 (0.38) IRAK4MAP3K7KDRAURKB
SCHEMBL351381 0.81 IRAK4 (0.59) IRAK4MAP3K7KDRAURKB

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-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 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-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN INSR 996/4885ALK 230/4885CYP3A4 4436/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 INSR 888/4885ALK 221/4885CYP3A4 4442/4885

“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.