SCHEMBL17896801

SCHEMBL17896801

CC(=O)N(C)C1CCN(Cc2cc(C)cc(F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.56
▸ LTA4H P09960 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCR3 P51677 3/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PDE2A O00408 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ ACHE P22303 2/20 0.39
▸ MLNR O43193 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ NSD2 O96028 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
SCHEMBL17896314 0.85 MAP4K4 (0.54) MAP4K4LTA4HCCR3JAK2ALDH1A1
SCHEMBL15587398 0.85 MAP4K4 (0.52) MAP4K4LTA4HMEN1KMT2ACCR3
SCHEMBL17896882 0.85 MAP4K4 (0.52) MAP4K4LTA4HMEN1KMT2ACCR3
SCHEMBL15587588 0.79 MAP4K4 (0.50) MAP4K4MEN1KMT2ACCR3PDE2A
SCHEMBL10654998 0.77 LTA4H (0.64) LTA4HJAK2ACHEDRD2HTR2A
SCHEMBL15587385 0.76 MAP4K4 (0.53) MAP4K4PDE2AALDH1A1ACHEMLNR
SCHEMBL28003341 0.76 CCR3 (0.48) MAP4K4LTA4HCCR3ALDH1A1CCR5
SCHEMBL5418139 0.75 LTA4H (0.59) MAP4K4LTA4HMEN1KMT2AJAK2
SCHEMBL5430931 0.75 LTA4H (0.59) MAP4K4LTA4HMEN1KMT2AJAK2
SCHEMBL4591814 0.75 LTA4H (0.59) MAP4K4LTA4HMEN1KMT2AJAK2

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 3293/4885MEN1 454/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885LTA4H 2666/4885MEN1 1241/4885

“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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