SCHEMBL1944720

SCHEMBL1944720

COc1ccc(-c2cn3nc(NCCc4ccccn4)sc3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.48
F2RL3 Q96RI0 8/20 0.41
ACP1 P24666 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE5A O76074 2/20 0.39
PDE6A P16499 2/20 0.39
PGK1 P00558 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL1944192 0.85 TP53 (0.49) F2RL3ACP1NPC1RAB9AKDM4E
SCHEMBL1946389 0.85 FYN (0.68) FYNF2RL3KDM4EALDH1A1MAPT
SCHEMBL1944741 0.84 FYN (0.47) FYNF2RL3ACP1NPC1RAB9A
SCHEMBL1944055 0.84 GBA1 (0.48) FYNNPC1RAB9AKDM4EALDH1A1
SCHEMBL1651704 0.84 FYN (0.49) FYNF2RL3ACP1NPC1RAB9A
SCHEMBL1944767 0.83 FYN (0.44) FYNF2RL3ACP1NPC1RAB9A
SCHEMBL1946042 0.83 FYN (0.47) FYNF2RL3KDM4EALDH1A1MAPT
SCHEMBL1944717 0.83 HSP90AA1 (0.44) FYNNPC1RAB9AKDM4EMAPT
SCHEMBL1945219 0.82 SMN1; SMN2 (0.48) F2RL3NPC1RAB9AKDM4EALDH1A1
SCHEMBL1944718 0.82 FYN (0.72) FYNMKNK1

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 1977/4885F2RL3 1121/4885ACP1 2731/4885

“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.