SCHEMBL1945633

SCHEMBL1945633

Clc1ccccc1-c1cn2nc(NCc3ccccc3)sc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.55
ALOX15 P16050 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GBA1 P04062 1/20 0.43
TP53 P04637 4/20 0.42
FYN P06241 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 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
SCHEMBL1943839 0.92 F2RL3 (0.52) F2RL3ALOX15CYP1A2CYP3A4CYP2D6
SCHEMBL1945107 0.91 F2RL3 (0.51) F2RL3TP53SMN1; SMN2MAPTLMNA
SCHEMBL1947713 0.89 CYP1A2 (0.51) F2RL3CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL1946825 0.88 F2RL3 (0.51) F2RL3ALOX15CYP1A2CYP3A4CYP2D6
SCHEMBL1947465 0.88 F2RL3 (0.59) F2RL3TP53FYNNPC1RAB9A
SCHEMBL1945460 0.84 TP53 (0.54) F2RL3ALOX15TP53FYNPTGDR2
SCHEMBL1946029 0.84 F2RL3 (0.51) F2RL3ALOX15CYP1A2CYP3A4CYP2D6
SCHEMBL1945228 0.84 F2RL3 (0.54) F2RL3ALOX15TP53FYNNPC1
SCHEMBL1944473 0.84 ADORA2A (0.45) F2RL3ALOX15ALDH1A1TP53FYN
SCHEMBL1946015 0.84 TP53 (0.61) F2RL3ALOX15ALDH1A1TP53FYN

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 1121/4885ALOX15 3892/4885CYP1A2 1141/4885

“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.