SCHEMBL17896303

SCHEMBL17896303

CC(C)c1cc(F)cc(CN2CCC(CC(=O)N(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.53
▸ LTA4H P09960 2/20 0.45
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ACHE P22303 4/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL17896879 0.85 MAP4K4 (0.55) MAP4K4LTA4HSLC6A4SLC6A3ACHE
SCHEMBL18626533 0.81 MAP4K4 (0.50) MAP4K4MEN1KMT2A
SCHEMBL18626472 0.79 MAP4K4 (0.47) MAP4K4CCR3
SCHEMBL18626531 0.79 KDM4E (0.49) MAP4K4MEN1KMT2ASIGMAR1
SCHEMBL18626467 0.79 MAP4K4 (0.49) MAP4K4ACHEMEN1KMT2ASIGMAR1
SCHEMBL19016222 0.76 MAP4K4 (0.50) MAP4K4MEN1KMT2A
SCHEMBL18626473 0.75 MAP4K4 (0.53) MAP4K4ACHEMEN1KMT2ACCR3
SCHEMBL19008144 0.75 MAP4K4 (0.49) MAP4K4LTA4HCCR3
SCHEMBL18626468 0.74 HRH3 (0.51) MAP4K4MEN1KMT2A
SCHEMBL19008145 0.73 MAP4K4 (0.52) MAP4K4MEN1KMT2A

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 MAP4K4 700/4885LTA4H 3293/4885SLC6A4 2339/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885LTA4H 2666/4885SLC6A4 2626/4885

“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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