SCHEMBL3034208

SCHEMBL3034208

CC(NCCCO)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
SMPD1 P17405 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
CASR P41180 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3041726 0.89 CYP3A4 (0.43) RRM1CYP3A4LMNACHRM2HTR1A
SCHEMBL11421702 0.81 LMNA (0.61) RRM1CYP3A4LMNACHRM2HTR1A
SCHEMBL2117376 0.81 LMNA (0.61) RRM1CYP3A4LMNACHRM2HTR1A
SCHEMBL2117373 0.81 LMNA (0.61) RRM1CYP3A4LMNACHRM2HTR1A
SCHEMBL3042629 0.79 LMNA (0.44) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3031567 0.79 SCN8A (0.47) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3035086 0.79 HTR1A (0.49) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL28205381 0.76 RRM1 (0.59) RRM1CYP3A4LMNACHRM2HTR1A
SCHEMBL3034217 0.75 SLC6A4 (0.41) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3927019 0.75 SLC6A4 (0.38) CYP3A4LMNACHRM2HTR1AADRA2A

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 RRM1 1072/4885CYP3A4 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.