SCHEMBL1945244

SCHEMBL1945244

COc1ccc(-c2cn3nc(NCc4cccnc4)sc3n2)cn1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.68
ADORA2A P29274 1/20 0.45
CYP19A1 P11511 2/20 0.44
RAB9A P51151 2/20 0.44
CD274 Q9NZQ7 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL2253417 0.90 FYN (0.54) FYNRAB9AKDM4ESMN1; SMN2F2RL3
SCHEMBL1943151 0.89 FYN (0.67) FYNCYP19A1NAMPTF2RL3CDK2
SCHEMBL1946444 0.85 FYN (0.53) FYNF2RL3
SCHEMBL1946470 0.85 FYN (0.53) FYNRAB9ACD274KDM4ESMN1; SMN2
SCHEMBL1946857 0.84 FYN (0.52) FYNF2RL3
SCHEMBL1945239 0.84 FYN (0.55) FYNRAB9ACD274KDM4EF2RL3
SCHEMBL1650374 0.84 FYN (0.52) FYNRAB9ACD274KDM4EPOLB
SCHEMBL1947763 0.84 FYN (0.56) FYNRAB9AKDM4ESMN1; SMN2POLB
SCHEMBL1945505 0.83 FYN (0.51) FYNRAB9ASMN1; SMN2TDP1F2RL3
SCHEMBL1945852 0.82 F2 (0.55) FYNCYP19A1KDM4ESMN1; SMN2F2RL3

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 1977/4885ADORA2A 1324/4885CYP19A1 1363/4885

“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.