SCHEMBL3037871

SCHEMBL3037871

O=C(NCC1CCCCN1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.58
HDAC4 P56524 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
IKBKB O14920 8/20 0.50
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
PBK Q96KB5 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CACNA1F O60840 1/20 0.47
LMNA P02545 1/20 0.47
KCNA5 P22460 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
SCHEMBL3036514 0.96 SCN9A (0.54) SCN9AHDAC4HDAC6HDAC3HDAC1
SCHEMBL20344080 0.87 SCN9A (0.60) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL20344016 0.86 SCN9A (0.58) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL17888386 0.86 SCN9A (0.58) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL6226816 0.86 SCN9A (0.61) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL6221777 0.86 SCN9A (0.61) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL6221784 0.86 SCN9A (0.61) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL6221703 0.86 ADRB1 (0.59) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL3760743 0.86 ADRB1 (0.59) SCN9AHDAC4HDAC6IKBKBPBK
SCHEMBL13766453 0.84 SCN9A (0.56) SCN9AHDAC4HDAC6IKBKBOPRK1

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 SCN9A 3323/4885HDAC4 3638/4885HDAC6 3050/4885

“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.