SCHEMBL17896334

SCHEMBL17896334

CC(C)c1cccc(CC(=O)N(C)C2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.55
MAP4K4 O95819 1/20 0.51
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL17896798 0.82 NPC1 (0.56) CCR5MAP4K4KMT2ASIGMAR1
SCHEMBL11626650 0.80 MAP4K4 (0.57) CCR5MAP4K4KMT2ASIGMAR1
SCHEMBL19444606 0.80 CCR5 (0.64) CCR5MAP4K4KMT2A
SCHEMBL12545922 0.80 PARP1 (0.46) CCR5
SCHEMBL4283829 0.79 CCR5 (0.62) CCR5KMT2ASIGMAR1
SCHEMBL2404441 0.76 NPC1 (0.52) CCR5MAP4K4KMT2ASIGMAR1
SCHEMBL11627155 0.75 POLB (0.56) CCR5MAP4K4
SCHEMBL13956186 0.74 MEN1 (0.49) CCR5MAP4K4KMT2ASIGMAR1
SCHEMBL31705840 0.74 CCR5 (0.50) CCR5MAP4K4SIGMAR1
SCHEMBL13434079 0.74 CCR5 (0.63) CCR5SIGMAR1

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
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US 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 CCR5 701/4885MAP4K4 700/4885KMT2A 437/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR CCR5 279/4885MAP4K4 662/4885KMT2A 1463/4885

“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.