SCHEMBL3047500

SCHEMBL3047500

Cc1cc(Nc2nc(-c3cccc(C(=O)NCc4ccccc4)c3)cc3nccn23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.49
ROCK2 O75116 3/20 0.44
PRKCA P17252 3/20 0.44
GRK2 P25098 3/20 0.44
MAP4K2 Q12851 5/20 0.44
JAK2 O60674 2/20 0.44
MAP4K4 O95819 2/20 0.44
ROS1 P08922 2/20 0.44
FER P16591 2/20 0.44
KDR P35968 2/20 0.44
ERBB4 Q15303 2/20 0.44
PKN2 Q16513 2/20 0.44
AURKB Q96GD4 2/20 0.44
SLK Q9H2G2 2/20 0.44
STK17A Q9UEE5 2/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 1/20 0.44
FLT1 P17948 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
SCHEMBL3046941 0.88 GAA (0.43) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3041819 0.87 CDK2 (0.46) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3040578 0.85 MAP4K2 (0.46) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL13221136 0.84 MAP4K2 (0.44) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL13221083 0.84 GSK3B (0.53) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3039707 0.84 RET (0.49) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3042488 0.83 MAP4K2 (0.43) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3046795 0.83 RET (0.45) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL3028149 0.83 MAP4K2 (0.41) RETROCK2MAP4K2JAK2MAP4K4
SCHEMBL13221135 0.83 RET (0.48) RETROCK2MAP4K2JAK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 RET 335/4885ROCK2 431/4885PRKCA 46/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 RET 335/4885ROCK2 431/4885PRKCA 46/4885

“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.