SCHEMBL1908266

SCHEMBL1908266

COc1cc(-c2cnn(C)c2)cn2ncc(NCc3ccccn3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.47
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FYN P06241 2/20 0.42
PGK1 P00558 1/20 0.41
TTK P33981 3/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL1900096 0.90 RET (0.46) RETRAB9APGK1TTK
SCHEMBL1907100 0.86 RET (0.43) RETTTK
SCHEMBL1904484 0.83 FLT1 (0.45) RETGAAFYNPGK1TTK
SCHEMBL1902793 0.82 FYN (0.47) RETKDM4EALDH1A1GAAHPGD
SCHEMBL1907765 0.82 PDE10A (0.49) RETKDM4EMEN1ALDH1A1HPGD
SCHEMBL1906720 0.82 PDE1A (0.42) RETPGK1TTKCCNA2CDK2
SCHEMBL2355401 0.80 RET (0.42) RETTTKCCNA2CDK2
SCHEMBL1906997 0.79 RET (0.51) RET
SCHEMBL2352858 0.79 RET (0.43) RETMEN1ALDH1A1MAPTHPGD
SCHEMBL12460675 0.77 RET (0.49) 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 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 RET 79/4885ALOX15 4850/4885KDM4E 1778/4885

“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.