SCHEMBL17896783

SCHEMBL17896783

CN1CCCC(c2cccc(N(C)C)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
DRD2 P14416 2/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
LSS P48449 2/20 0.42
KCNH2 Q12809 1/20 0.40
PARP1 P09874 1/20 0.40
PROKR1 Q8TCW9 3/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL17896360 0.82 MAP4K4 (0.50) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL17888358 0.82 HTR1A (0.52) MAP4K4DRD2HTR1ADRD4LSS
SCHEMBL23114442 0.81 MAP4K4 (0.50) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL12090447 0.81 MAP4K4 (0.50) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL17896784 0.80 MAP4K4 (0.52) MAP4K4DRD2DRD3LSSKCNH2
SCHEMBL29814708 0.79 DRD2 (0.45) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL23089594 0.79 DRD2 (0.45) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL19016219 0.78 MAP4K4 (0.47) MAP4K4DRD2HTR1ADRD4DRD3
SCHEMBL17896785 0.78 MAP4K4 (0.56) MAP4K4DRD2DRD3LSSPARP1
SCHEMBL23114439 0.77 KCNH2 (0.46) DRD2DRD3LSSKCNH2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP 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

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 700/4885DRD2 1993/4885HTR1A 1654/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885DRD2 2514/4885HTR1A 1083/4885

“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.