SCHEMBL18005291

SCHEMBL18005291

N#Cc1[nH]nnc1-c1nc(-c2ccc(F)c(Cl)c2)oc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
MDM2 Q00987 5/20 0.35
TNKS O95271 3/20 0.35
PARP2 Q9UGN5 3/20 0.35
PARP1 P09874 1/20 0.34
MET P08581 2/20 0.33
TGFBR1 P36897 2/20 0.33
ALOX15 P16050 1/20 0.32
AXL P30530 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR2 P37173 1/20 0.32
PRCP P42785 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL18005574 0.96 GRM5 (0.40) GRM5MDM2TNKSPARP2PARP1
SCHEMBL18005397 0.96 GRM5 (0.40) GRM5MDM2TNKSPARP2PARP1
SCHEMBL18005328 0.95 MDM2 (0.41) GRM5MDM2TNKSPARP2PARP1
SCHEMBL18005301 0.91 ALOX15 (0.41) GRM5ALOX15KDM4EALDH1A1RAB9A
SCHEMBL18005351 0.91 KDM1A (0.33) GRM5METKDM4EALDH1A1SMN1; SMN2
SCHEMBL18005300 0.88 ALOX15 (0.34) GRM5ALOX15KDM4EALDH1A1RAB9A
SCHEMBL18005355 0.88 NOTUM (0.34) GRM5TGFBR1KDM4EALDH1A1RAB9A
SCHEMBL18005487 0.87 ALDH1A1 (0.39) ALOX15KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL18005576 0.87 KDM1A (0.32) GRM5MDM2KDM4EALDH1A1RAB9A
SCHEMBL16399641 0.86 GRM5 (0.43) GRM5ALOX15KDM4EALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 GRM5 1425/4885MDM2 4295/4885TNKS 3528/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 GRM5 1425/4885MDM2 4295/4885TNKS 3528/4885

“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.