SCHEMBL627244

SCHEMBL627244

CSc1nn2c(I)cnc2s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
F2RL3 Q96RI0 4/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL15349249 0.75 PKM (0.35) CDK2CDK1CCNB1F2RL3MEN1
SCHEMBL15349189 0.73 RAB9A (0.34) CDK2CDK1CCNB1
SCHEMBL15349310 0.68 LMNA (0.44) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL15349820 0.66 F2RL3 (0.59) F2RL3MEN1ALDH1A1KMT2A
SCHEMBL2253622 0.66 NPSR1 (0.53) ALDH1A1LMNAHPGD
SCHEMBL15349548 0.66 F2RL3 (0.62) F2RL3
SCHEMBL532351 0.65 PIK3CA (0.54) CDK2MEN1ALDH1A1KMT2A
SCHEMBL1649968 0.64 F2RL3 (0.40) F2RL3
SCHEMBL15349663 0.64 F2RL3 (0.60) F2RL3
SCHEMBL15349798 0.64 F2RL3 (0.36) F2RL3MEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
EP-2307425-A1 IMIDAZOTHIADIAZOLES DERIVATIVES Merck Patent GmbH (DE) 2011-04-13 EP disclosed
WO-2010012345-A1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-04 WO disclosed
WO-2010012345-A1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-04 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R CDK2 59/4885CDK1 42/4885CCNB1 220/4885

“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.