SCHEMBL4944244

SCHEMBL4944244

Nc1ccc(F)cc1C(=O)Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 3/20 0.55
▸ BRAF P15056 6/20 0.48
▸ KIT P10721 5/20 0.48
▸ KEAP1 Q14145 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL4946278 0.93 FADS1 (0.55) FADS1BRAFKITKEAP1SMN1; SMN2
SCHEMBL4937476 0.86 KIT (0.49) FADS1BRAFKITSMN1; SMN2NPC1
SCHEMBL4944485 0.85 KIT (0.58) FADS1BRAFKITSMN1; SMN2NPC1
SCHEMBL4941710 0.83 RAB9A (0.46) BRAFKITSMN1; SMN2NPC1RAB9A
SCHEMBL4946115 0.83 BRAF (0.48) FADS1BRAFKITSMN1; SMN2NPC1
SCHEMBL4945832 0.82 KIT (0.49) FADS1BRAFKITSMN1; SMN2NPC1
SCHEMBL31726118 0.79 KIT (0.53) BRAFKIT
SCHEMBL4943799 0.79 NPC1 (0.52) FADS1BRAFKITSMN1; SMN2NPC1
SCHEMBL4943862 0.77 KIT (0.59) FADS1BRAFKIT
SCHEMBL4943390 0.75 KIT (0.79) BRAFKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 — — EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 — — WO 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 FADS1 325/4885BRAF 406/4885KIT 2298/4885

“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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