SCHEMBL828577

SCHEMBL828577

CNc1cc(C(N)C(=O)c2ccc(F)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
NR3C2 P08235 3/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
MAPK14 Q16539 7/20 0.37
HTR1F P30939 1/20 0.37
GPR142 Q7Z601 2/20 0.37
NNMT P40261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.35

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
Hydrochloric Acid SCHEMBL829558 0.99 PTGDR2 (0.41) PTGDR2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL828704 0.87 MAPK14 (0.46) GRM5GRM1MAPK14
SCHEMBL828111 0.86 GRM5 (0.40) NPC1RAB9ASMN1; SMN2TP53NR3C2
Hydrochloric Acid SCHEMBL830076 0.86 MAPK14 (0.46) GRM5GRM1MAPK14
SCHEMBL828288 0.86 MAPK14 (0.47) MAPK14
Hydrochloric Acid SCHEMBL829739 0.85 MAPK14 (0.46) MAPK14
Hydrochloric Acid SCHEMBL830147 0.85 GRM5 (0.39) NPC1RAB9ASMN1; SMN2TP53NR3C2
SCHEMBL828108 0.84 MAPK14 (0.50) SMN1; SMN2NR3C2MAPK14
SCHEMBL828286 0.83 MAPK14 (0.56) NPC1MAPK14
Hydrochloric Acid SCHEMBL829676 0.83 MAPK14 (0.49) SMN1; SMN2NR3C2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 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 (3 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 PTGDR2 1423/4885NPC1 4216/4885RAB9A 2039/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 PTGDR2 1423/4885NPC1 4216/4885RAB9A 2039/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B PTGDR2 267/4885NPC1 3126/4885RAB9A 2338/4885

“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.