SCHEMBL1908129

SCHEMBL1908129

CNC(=O)c1cnn2cc(-c3cnn(C)c3)cc(OC)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.46
ERN1 O75460 1/20 0.46
RET P07949 9/20 0.43
USP30 Q70CQ3 1/20 0.43
CREBBP Q92793 1/20 0.42
HCRTR2 O43614 1/20 0.41
CLK1 P49759 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
FGFR1 P11362 1/20 0.39
FGFR3 P22607 1/20 0.39
USP7 Q93009 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
SCHEMBL23501130 0.88 ERN1 (0.47) TTKERN1RETUSP30
SCHEMBL1908200 0.88 KDM1A (0.46) ERN1RETUSP30CREBBPCLK1
SCHEMBL1901010 0.87 ERN1 (0.48) ERN1RETUSP30
SCHEMBL1903169 0.86 MKNK1 (0.48) ERN1RETUSP30
SCHEMBL23501220 0.84 CLK1 (0.46) RETUSP30CREBBPCLK1CCNC
SCHEMBL12394624 0.84 MEN1 (0.47) RETUSP30HCRTR2CLK1
SCHEMBL1906769 0.84 HTR4 (0.43) TTKERN1RETUSP30HCRTR2
SCHEMBL1905270 0.84 IKBKE (0.57) CLK1
SCHEMBL2352784 0.84 ALDH1A1 (0.47) ERN1RETUSP30CREBBPCLK1
SCHEMBL1906405 0.84 HCRTR2 (0.49) RETHCRTR2CLK1

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 11 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
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO 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 TTK 99/4885ERN1 1096/4885RET 79/4885

“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.