SCHEMBL18129094

SCHEMBL18129094

c1ccc(-c2cccc(CNC3CCC3)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.47
▸ PARP1 P09874 3/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ HIF1A Q16665 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
SCHEMBL18984688 0.97 MAP4K4 (0.56) MAP4K4ALDH1A1PARP1KCNH2HRH3
SCHEMBL375149 0.88 MAP4K4 (0.58) MAP4K4HRH3CARM1PRMT6
SCHEMBL18984649 0.86 MAP4K4 (0.59) MAP4K4CARM1PRMT6HCRTR1HCRTR2
SCHEMBL18129078 0.85 MAP4K4 (0.56) MAP4K4HRH3CARM1PRMT6HCRTR1
SCHEMBL18984676 0.83 MAP4K4 (0.57) MAP4K4ALDH1A1KCNH2KDM4EPKM
SCHEMBL18129157 0.83 MAP4K4 (0.58) MAP4K4HRH3CARM1PRMT6HCRTR1
SCHEMBL8808220 0.81 HRH3 (0.64) ALDH1A1HRH3KDM4EPKMPOLB
SCHEMBL23124608 0.79 MEN1 (0.61) HRH3POLBMEN1RAB9AKMT2A
SCHEMBL8807848 0.77 HRH3 (0.62) MAP4K4ALDH1A1PARP1KCNH2HRH3
SCHEMBL18129023 0.76 MAP4K4 (0.53) MAP4K4PARP1HRH3PRMT6HCRTR1

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-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

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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL MAP4K4 700/4885ALDH1A1 534/4885PARP1 54/4885

“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.

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