SCHEMBL1945239

SCHEMBL1945239

COc1cncc(-c2cn3nc(NCc4cccnc4)sc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.55
RAB9A P51151 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
CYP3A4 P08684 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
F2RL3 Q96RI0 2/20 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
SCHEMBL1945197 0.91 FYN (0.66) FYNRAB9AKDM4EHSD17B10TP53
SCHEMBL1945148 0.89 FYN (0.66) FYNF2RL3
SCHEMBL1945259 0.88 FYN (0.67) FYNLMNATP53F2RL3
SCHEMBL1946470 0.86 FYN (0.53) FYNRAB9ACD274CYP3A4CYP2C19
SCHEMBL1944208 0.86 FYN (0.58) FYNF2RL3
SCHEMBL1945852 0.85 F2 (0.55) FYNALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1650374 0.85 FYN (0.52) FYNRAB9ACD274CYP3A4CYP2C19
SCHEMBL1945066 0.84 FYN (0.56) FYNRAB9AF2RL3
SCHEMBL1945244 0.84 FYN (0.68) FYNRAB9ACD274CYP3A4CYP2C19
SCHEMBL1943954 0.83 PIM1 (0.50) FYNRAB9ACD274CYP3A4CYP2C19

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 1977/4885RAB9A 2542/4885CD274 104/4885

“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.