SCHEMBL14511645

SCHEMBL14511645

Cc1nc(CNC(C)C)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.40
▸ MAPK14 Q16539 12/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GCGR P47871 3/20 0.36
▸ MAPK13 O15264 2/20 0.36
▸ MAPK12 P53778 2/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL14511652 0.78 ALOX5 (0.42) MAPK14GSK3BGCGRMAPK13MAPK12
SCHEMBL14511643 0.77 TSHR (0.39) MAPK14GCGRKDM4EHPGD
SCHEMBL14511641 0.77 KDM4E (0.40) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL14511644 0.71 HSD17B10 (0.46) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5371873 0.71 KDM4E (0.67) MAPK14GSK3BGCGRMAPK13MAPK12
SCHEMBL14511640 0.69 ALOX5 (0.51) MAPK14MAPK13MAPK12MAPK11DHODH
SCHEMBL105263 0.66 LMNA (0.52) HPGD
SCHEMBL2175497 0.66 MAPK14 (0.40) MAPK14GSK3BGCGRMAPK13MAPK12
SCHEMBL14705875 0.65 SMN1; SMN2 (0.49) MAPK14PDE2AGSK3BGCGRMAPK13
SCHEMBL14705882 0.65 HAO2 (0.44) MAPK14PDE2AGSK3BGCGRMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — US disclosed
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 — — 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 TRPV3 3524/4885MAPK14 342/4885PDE2A 3427/4885

“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.

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