SCHEMBL1944741

SCHEMBL1944741

COc1cncc(-c2cn3nc(NCCc4ccccn4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.47
ACP1 P24666 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F2RL3 Q96RI0 4/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CA P42336 3/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
PGK1 P00558 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
SCHEMBL1945354 0.84 FYN (0.51) FYNNPC1RAB9AF2RL3PIK3CG
SCHEMBL1944720 0.84 FYN (0.48) FYNACP1NPC1RAB9AF2RL3
SCHEMBL1944055 0.84 GBA1 (0.48) FYNNPC1RAB9A
SCHEMBL1651704 0.84 FYN (0.49) FYNACP1NPC1RAB9AF2RL3
SCHEMBL1944774 0.83 ACP1 (0.40) ACP1NPC1RAB9AF2RL3PIK3CA
SCHEMBL1944767 0.83 FYN (0.44) FYNACP1NPC1RAB9AF2RL3
SCHEMBL1944739 0.83 FYN (0.68) FYNNPC1RAB9A
SCHEMBL1944192 0.83 TP53 (0.49) ACP1NPC1RAB9AF2RL3
SCHEMBL1945197 0.81 FYN (0.66) FYNACP1NPC1RAB9AF2RL3
SCHEMBL1944717 0.81 HSP90AA1 (0.44) FYNNPC1RAB9A

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 FYN 1977/4885ACP1 2731/4885NPC1 3811/4885

“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.