SCHEMBL1946313

SCHEMBL1946313

Cc1ccccc1CNc1nn2cc(-c3ccncc3)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.52
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 9/20 0.48
TP53 P04637 10/20 0.47
ALOX15 P16050 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1944035 0.88 FYN (0.65) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1945474 0.86 FYN (0.46) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944422 0.84 TP53 (0.52) FYNROCK2ROCK1SMN1; SMN2NPC1
SCHEMBL1943815 0.83 F2RL3 (0.54) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1946050 0.83 F2RL3 (0.54) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1946937 0.82 MAPT (0.46) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1945445 0.81 TP53 (0.56) FYNROCK2ROCK1SMN1; SMN2NPC1
SCHEMBL1944348 0.81 EGFR (0.46) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944633 0.81 MAPT (0.46) FYNSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944496 0.81 FYN (0.50) FYNSMN1; SMN2NPC1RAB9AKDM4E

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 1977/4885ROCK2 508/4885ROCK1 192/4885

“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.