SCHEMBL112118

SCHEMBL112118

Cc1c(Br)cncc1CCCN

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
HRH4 Q9H3N8 3/20 0.35
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.31
HRH1 P35367 7/20 0.30
HRH2 P25021 2/20 0.30

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
SCHEMBL14780348 0.80 AOC3 (0.35)
SCHEMBL6505814 0.79 HRH4 (0.33) HRH3HRH4CYP2A6
SCHEMBL5516854 0.78 HRH3 (0.41) HRH3HRH4CYP2A6TAAR1HRH1
SCHEMBL5794503 0.72 PDXK (0.37)
SCHEMBL5848592 0.70 HTR2A (0.41) HRH3HRH4TAAR1
SCHEMBL152386 0.70
SCHEMBL6508284 0.69 SLC6A2 (0.39)
SCHEMBL6509600 0.69 LMNA (0.38)
SCHEMBL24996616 0.68 CSNK2A1 (0.35)
SCHEMBL112117 0.67 MAP3K8 (0.36)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO disclosed
US-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester AGOURON PHARMACEUTICALS, INC. 2006-06-01 US disclosed
WO-2006054151-A1 SYNTHESIS OF 5-BROMO-4-METHYL-PYRIDIN-3-YLMETHYL)-ETHYL-CARBAMIC ACID TERT-BUTYL ESTER PFIZER INC., (US) 2006-05-26 WO disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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 (3 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-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester TERT, BRD4, PRMT5 HRH3 2207/4885HRH4 1580/4885CYP2A6 1052/4885
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 HRH3 579/4885HRH4 1166/4885CYP2A6 1987/4885
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 HRH3 2212/4885HRH4 1906/4885CYP2A6 3892/4885

“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.