SCHEMBL18626552

SCHEMBL18626552

CC(C)c1cc(F)cc(CNCC(=O)N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CACNA1B Q00975 2/20 0.35
▸ APOL1 O14791 1/20 0.35
▸ CYP2D6 P10635 3/20 0.33
▸ KCNH2 Q12809 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL15587436 0.81 RPS6KB1 (0.37) CACNA1BAPOL1CYP2D6KCNH2KMT2A
SCHEMBL19008151 0.79 BCHE (0.50) CTSDBACE1CACNA1BCYP2D6KCNH2
SCHEMBL17563740 0.78 CTSD (0.36) CTSDBACE1
SCHEMBL18672910 0.78 RAB9A (0.47) MEN1KMT2A
SCHEMBL18626594 0.77 MAP4K4 (0.43) CTSDBACE1MEN1KMT2A
SCHEMBL19008154 0.75 MAP4K4 (0.44) CTSDBACE1
SCHEMBL18626561 0.75 GSR (0.44) CTSDBACE1MEN1KMT2A
SCHEMBL18626534 0.72 MAP4K4 (0.42) CTSDBACE1CYP2D6KCNH2MEN1
SCHEMBL18626562 0.71 MAP4K4 (0.41) CTSDBACE1KCNH2MEN1KMT2A
SCHEMBL17896303 0.70 MAP4K4 (0.53) MEN1KMT2A

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 3 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

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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR CTSD 3865/4885BACE1 3929/4885CACNA1B 4625/4885

“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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