SCHEMBL1945976

SCHEMBL1945976

COCCNc1nn2cc(-c3ccccc3Cl)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 12/20 0.61
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1944715 0.87 F2RL3 (0.53) F2RL3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL1944082 0.85 F2RL3 (0.42) F2RL3CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1944141 0.85 F2RL3 (0.42) F2RL3CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL1947874 0.84 F2RL3 (0.57) F2RL3CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL1945769 0.83 F2RL3 (0.53) F2RL3ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL1946947 0.83 F2RL3 (0.60) F2RL3KDM4ESMN1; SMN2MAPTTP53
SCHEMBL1947465 0.81 F2RL3 (0.59) F2RL3KDM4EMAPTTP53NPC1
SCHEMBL1945633 0.81 F2RL3 (0.55) F2RL3CYP1A2CYP3A4MAPK1CYP2C19
SCHEMBL1943679 0.81 F2RL3 (0.62) F2RL3KDM4ESMN1; SMN2MAPTTP53
SCHEMBL1947329 0.80 F2RL3 (0.44) F2RL3CYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (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 F2RL3 1121/4885CYP1A2 1141/4885CYP3A4 1421/4885

“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.