SCHEMBL3037050

SCHEMBL3037050

COCCNC(=O)c1cc[c]cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 5/20 0.45
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
PYGL P06737 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3982359 0.85 POLB (0.44) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL3034809 0.84 HPGD (0.49) MAPK1MEN1KMT2AHPGDPOLB
SCHEMBL3034527 0.82 HPGD (0.55) MAPK1HPGDPOLBALDH1A1PYGL
SCHEMBL743868 0.81 LMNA (0.41) KMT2AHPGDPOLBALDH1A1GAA
SCHEMBL30760510 0.78 KMT2A (0.68) MAPK1MEN1KMT2AHPGDPOLB
SCHEMBL6126432 0.77 CHRM1 (0.37)
SCHEMBL1355068 0.76 ALDH1A1 (0.41) KMT2AHPGDPOLBALDH1A1GAA
SCHEMBL744223 0.76 GAA (0.56) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL7967927 0.76 NPC1 (0.50) MAPK1MEN1KMT2AHPGDPOLB
SCHEMBL12124297 0.75 MEN1 (0.56) MAPK1MEN1KMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF MAPK1 63/4885MEN1 829/4885KMT2A 2325/4885

“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.