SCHEMBL19480627

SCHEMBL19480627

COc1cc(NC(N)=O)ccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ MAPT P10636 9/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ IMPDH2 P12268 1/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KIF11 P52732 2/20 0.46
▸ BRAF P15056 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL6497413 0.88 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL19411114 0.85 CYP1A2 (0.75) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL7760777 0.82 CYP1A2 (0.65) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL1011920 0.78 POLB (0.63) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL9194130 0.78 KIF11 (0.51) MAPTGAAKIF11SMN1; SMN2NPC1
SCHEMBL13105727 0.77 HTR2A (0.44) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL27413036 0.76 GRM4 (0.59) CYP2C9CYP2C19CYP1A2MAPTHSD17B10
SCHEMBL28232084 0.76 TAS2R14 (0.52) MAPTLMNAKIF11SMN1; SMN2KMT2A
SCHEMBL19661750 0.76 GRM4 (0.58) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL5742985 0.76 KDR (0.57) MAPTLMNAKIF11SMN1; SMN2KMT2A

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-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 — — 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-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885

“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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