SCHEMBL4940992

SCHEMBL4940992

O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccnc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.57
▸ BRAF P15056 5/20 0.57
▸ ALDH1A1 P00352 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL4944821 0.79 GRM4 (0.56) KITBRAF
SCHEMBL4945224 0.78 KIT (0.75) KITBRAF
SCHEMBL4944485 0.78 KIT (0.58) KITBRAFRAB9ASMN1; SMN2
SCHEMBL4018082 0.77 KDR (0.64) KITBRAFKMT2AATM
SCHEMBL3954007 0.76 MEN1 (0.49) KITBRAFALDH1A1MEN1KMT2A
SCHEMBL10971857 0.75 KMT2A (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3905888 0.75 MEN1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3110902 0.74 GRM4 (0.61) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16007625 0.74 MEN1 (0.76) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4944777 0.74 MEN1 (0.56) KITBRAFALDH1A1MEN1KMT2A

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 3 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

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 406/4885ALDH1A1 611/4885

“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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