SCHEMBL18768145

SCHEMBL18768145

CC(CNC(=O)C(F)(F)F)c1cc(=O)n(-c2ccccc2)n1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.43
▸ GAA P10253 7/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL17034884 0.81 NAPRT (0.43) NAPRTGAASMN1; SMN2MAPTKDM4E
SCHEMBL18334563 0.79 PTGS2 (0.44) GAASMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL17035394 0.79 PTGS2 (0.44) GAASMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL18768143 0.79 PTGS2 (0.44) GAASMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL18768138 0.76 ESR1 (0.43) NAPRTGAASMN1; SMN2MAPTKDM4E
SCHEMBL18768144 0.76 MAPT (0.42) GAASMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL24192360 0.74 NPC1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL19281410 0.74 NPC1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL24192005 0.74 NPC1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1NPC1
SCHEMBL18768225 0.73 NAPRT (0.43) NAPRTGAASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 — — 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL NAPRT 3425/4885GAA 2530/4885SMN1; SMN2 4135/4885

“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.

Send feedback