SCHEMBL17896802

SCHEMBL17896802

Cc1cc(F)cc(NC(=O)C2CN(C)CCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.56
ABL1 P00519 1/20 0.44
CD274 Q9NZQ7 1/20 0.42
MAP3K5 Q99683 1/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP30 Q70CQ3 2/20 0.39
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL21925237 0.85 MAP4K4 (0.54) MAP4K4ABL1CD274MAP3K5POLB
SCHEMBL17896337 0.85 MAP4K4 (0.54) MAP4K4ABL1CD274MAP3K5POLB
SCHEMBL21925238 0.83 MAP4K4 (0.56) MAP4K4ABL1CD274MAP3K5POLB
SCHEMBL17896866 0.81 MAP4K4 (0.57) MAP4K4ABL1MAP3K5NPSR1RAB9A
SCHEMBL15587783 0.80 POLB (0.64) MAP4K4POLBLMNAKDM4ERAB9A
SCHEMBL11272707 0.77 USP30 (0.57) MAP4K4ABL1MAP3K5POLBSMN1; SMN2
SCHEMBL15587540 0.73 MAP4K4 (1.00) MAP4K4
SCHEMBL19016256 0.71 MAP4K4 (0.55) MAP4K4ABL1CD274MAP3K5SMN1; SMN2
SCHEMBL17896348 0.71 MAP4K4 (0.55) MAP4K4ABL1CD274MAP3K5POLB
SCHEMBL15587796 0.71 NPSR1 (0.59) MAP4K4ABL1POLBLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 700/4885ABL1 18/4885CD274 2893/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885ABL1 46/4885CD274 1972/4885

“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.