SCHEMBL3035129

SCHEMBL3035129

CCCCNC(C)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL3034755 0.89 CYP3A4 (0.44) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL5470485 0.86 LMNA (0.48) CYP1A2CYP2D6CYP2C19LMNACYP3A4
SCHEMBL5470486 0.86 LMNA (0.48) CYP1A2CYP2D6CYP2C19LMNACYP3A4
SCHEMBL19457134 0.83 SMN1; SMN2 (0.46) CA2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL13975423 0.81 HTR1A (0.46) CA2HDAC3HDAC1HDAC2CYP1A2
SCHEMBL5479312 0.81 LMNA (0.44) CYP1A2CYP2D6CYP2C19LMNACYP3A4
SCHEMBL5479317 0.81 LMNA (0.44) CYP1A2CYP2D6CYP2C19LMNACYP3A4
SCHEMBL13676409 0.81 CYP3A4 (0.63) CA2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL3384080 0.81 CYP3A4 (0.63) CA2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL3038409 0.81 HTT (0.49) CYP1A2CYP2D6CYP2C19LMNACYP3A4

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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF CA2 3006/4885HDAC3 3727/4885HDAC1 2671/4885

“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.