SCHEMBL3038566

SCHEMBL3038566

CC(NCCO)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
SMPD1 P17405 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
CASR P41180 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL5470486 0.88 LMNA (0.48) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL5470485 0.88 LMNA (0.48) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL14532818 0.84 SMN1; SMN2 (0.46) SMN1; SMN2LMNACYP1A2ALDH1A1POLB
SCHEMBL5479317 0.82 LMNA (0.44) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL3034755 0.82 CYP3A4 (0.44) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL5479312 0.82 LMNA (0.44) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL31579895 0.81 HTR1A (0.47) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL3653564 0.81 CYP3A4 (0.43) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL5468813 0.81 LMNA (0.61) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2
SCHEMBL5468817 0.81 LMNA (0.61) SMN1; SMN2CYP3A4LMNACYP1A2CHRM2

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 SMN1; SMN2 4397/4885CYP3A4 1522/4885LMNA 1993/4885

“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.