SCHEMBL4944485

SCHEMBL4944485

Nc1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 9/20 0.58
▸ BRAF P15056 9/20 0.58
▸ FADS1 O60427 3/20 0.55
▸ PTGS1 P23219 2/20 0.52
▸ P2RX1 P51575 1/20 0.51
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL4943862 0.92 KIT (0.59) KITBRAFFADS1PTGS1P2RX1
SCHEMBL4944244 0.85 FADS1 (0.55) KITBRAFFADS1NPC1RAB9A
SCHEMBL4937476 0.83 KIT (0.49) KITBRAFFADS1NPC1RAB9A
SCHEMBL4946115 0.81 BRAF (0.48) KITBRAFFADS1P2RX1NPC1
SCHEMBL4944777 0.80 MEN1 (0.56) KITBRAFP2RX1RAB9ASMN1; SMN2
SCHEMBL4944821 0.80 GRM4 (0.56) KITBRAFCYP2C9
SCHEMBL31726118 0.78 KIT (0.53) KITBRAF
SCHEMBL4940992 0.78 KIT (0.57) KITBRAFRAB9ASMN1; SMN2
SCHEMBL4945832 0.77 KIT (0.49) KITBRAFFADS1NPC1RAB9A
SCHEMBL4946278 0.77 FADS1 (0.55) KITBRAFFADS1NPC1RAB9A

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 KIT 2298/4885BRAF 406/4885FADS1 325/4885

“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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