SCHEMBL2352407

SCHEMBL2352407

COc1cc(-c2cnn(C)c2)cn2ncc(C(=O)Nc3ccnc(C)c3C)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.42
TTK P33981 5/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
RET P07949 1/20 0.40
CHRM1 P11229 1/20 0.40
PDGFRA P16234 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CSF1R P07333 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL2348572 0.84 IRAK4 (0.45) IRAK4TTKCCNA2CDK2CSF1R
SCHEMBL1905270 0.82 IKBKE (0.57) JAK2TYK2IKBKETBK1
SCHEMBL12394624 0.82 MEN1 (0.47) IRAK4RETCSF1RIKBKETBK1
SCHEMBL1907691 0.82 IKBKE (0.43) IRAK4TTKRETCSF1RIKBKE
SCHEMBL1908200 0.81 KDM1A (0.46) IRAK4RETCSF1RIKBKETBK1
SCHEMBL1907389 0.81 IRAK4 (0.42) IRAK4RETIKBKETBK1
SCHEMBL1908129 0.80 TTK (0.46) TTKRET
SCHEMBL2352784 0.80 ALDH1A1 (0.47) IRAK4RETIKBKETBK1
SCHEMBL1901229 0.80 LRRK2 (0.57) IKBKETBK1
SCHEMBL1906376 0.78 ALDH1A1 (0.50) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US claimed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO 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 (1 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 IRAK4 519/4885TTK 99/4885CCNA2 1890/4885

“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.