SCHEMBL17896798

SCHEMBL17896798

Cc1cccc(CC(=O)N(C)C2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
MAP4K4 O95819 1/20 0.54
CCR5 P51681 6/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 2/20 0.50
SIGMAR1 Q99720 3/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
CTBP2 P56545 1/20 0.44

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
SCHEMBL2404441 0.94 NPC1 (0.52) NPC1MAP4K4CCR5POLBKMT2A
SCHEMBL19444606 0.83 CCR5 (0.64) NPC1MAP4K4CCR5KMT2ALMNA
SCHEMBL11626650 0.83 MAP4K4 (0.57) NPC1MAP4K4CCR5KMT2ASIGMAR1
SCHEMBL17896334 0.82 CCR5 (0.55) MAP4K4CCR5KMT2ASIGMAR1
SCHEMBL4283829 0.82 CCR5 (0.62) CCR5KMT2ASIGMAR1
SCHEMBL14297341 0.81 NPC1 (0.55) NPC1CCR5POLBKMT2ASIGMAR1
SCHEMBL13956186 0.80 MEN1 (0.49) NPC1MAP4K4CCR5KMT2ASIGMAR1
SCHEMBL11627155 0.78 POLB (0.56) MAP4K4CCR5POLB
SCHEMBL12569388 0.78 CTBP2 (0.54) NPC1POLBCTBP2
SCHEMBL31705840 0.77 CCR5 (0.50) MAP4K4CCR5SIGMAR1

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 NPC1 2128/4885MAP4K4 700/4885CCR5 701/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR NPC1 3072/4885MAP4K4 662/4885CCR5 279/4885

“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.