SCHEMBL17896879

SCHEMBL17896879

Cc1cc(F)cc(CN2CCC(CC(=O)N(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.55
▸ LTA4H P09960 2/20 0.47
▸ ACHE P22303 4/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL17896303 0.85 MAP4K4 (0.53) MAP4K4LTA4HACHEDRD2DRD4
SCHEMBL15587403 0.83 SLC6A4 (0.47) MAP4K4ACHEDRD2DRD4FFAR4
SCHEMBL15587420 0.82 MAP4K4 (0.53) MAP4K4DRD2DRD4ALDH1A1
SCHEMBL15587427 0.80 MAP4K4 (0.48) MAP4K4ACHEACKR3SIGMAR1
SCHEMBL15587587 0.78 MAP4K4 (0.52) MAP4K4ALDH1A1
SCHEMBL15587588 0.78 MAP4K4 (0.50) MAP4K4ACHECCR3ACKR3SIGMAR1
SCHEMBL15587581 0.77 ALDH1A1 (0.52) MAP4K4ACHEACKR3ALDH1A1SIGMAR1
SCHEMBL15587402 0.77 MAP4K4 (0.52) MAP4K4ACHEACKR3ALDH1A1SIGMAR1
SCHEMBL17896801 0.75 MAP4K4 (0.56) MAP4K4LTA4HACHEDRD2CCR3
SCHEMBL15587385 0.74 MAP4K4 (0.53) MAP4K4ACHEACKR3ALDH1A1

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 MAP4K4 700/4885LTA4H 3293/4885ACHE 3949/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885LTA4H 2666/4885ACHE 4706/4885

“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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