SCHEMBL3034871

SCHEMBL3034871

CC(=O)c1ccc(Br)cc1.CC(NCC1CC1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
MCHR1 Q99705 3/20 0.41
CYP1A2 P05177 1/20 0.41
MAOB P27338 1/20 0.40
PARP1 P09874 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL9989339 0.74 POLB (0.47) POLBALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2177129 0.72 POLB (0.58) POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL14246067 0.72 POLB (0.58) POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL26263884 0.72 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNAMAOBKMT2A
SCHEMBL684410 0.71 CYP1A2 (0.42) POLBHDAC3HDAC1HDAC2CYP1A2
SCHEMBL20102 0.71 CES2 (0.62) SMN1; SMN2LMNAMAOBKMT2A
SCHEMBL17187852 0.71 CES2 (0.62) SMN1; SMN2LMNAMAOBKMT2A
SCHEMBL12321300 0.70 HDAC6 (0.50) HDAC3HDAC1HDAC2MCHR1
SCHEMBL12410231 0.70 SIGMAR1 (0.61) POLBALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL680730 0.69 POLB (0.42) POLBHDAC3HDAC1HDAC2SMN1; SMN2

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 POLB 1912/4885HDAC3 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.