SCHEMBL9761882

SCHEMBL9761882

CN1CCCC(c2ncc[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ADRA1A P35348 2/20 0.42
PARP1 P09874 1/20 0.41
HTR2B P41595 4/20 0.39
LRRK2 Q5S007 1/20 0.39
KCNH2 Q12809 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL21923172 0.81 MAP4K4 (0.46) MAP4K4ADRA1AHTR2BLRRK2ADRA2A
SCHEMBL17896388 0.80 MAP4K4 (0.44) MAP4K4ADRA1AHTR2BLRRK2ADRA2A
SCHEMBL5255708 0.80 ADRA1A (0.51) ADRA1AHTR2BLRRK2ADRA2AADRA1D
SCHEMBL15550395 0.77 HTR2B (0.50) MAP4K4ADRA1AHTR2BLRRK2
SCHEMBL10845973 0.77 MAP4K4 (0.42) MAP4K4ADRA1APARP1HTR2BLRRK2
SCHEMBL184451 0.77 ADRA1A (0.55) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL1494449 0.77
SCHEMBL7856564 0.75 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL1133528 0.75 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D
SCHEMBL724530 0.75 ADRA1A (0.53) MAP4K4ADRA1AHTR2BADRA2AADRA1D

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
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 US disclosed
WO-2013178591-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
US-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed
EP-0397614-A2 Pharmacologically active piperdinylimidazopyridines DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP 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 (2 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL MAP4K4 700/4885ADRA1A 1749/4885PARP1 54/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885ADRA1A 1143/4885PARP1 145/4885

“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.