SCHEMBL18626472

SCHEMBL18626472

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.47
▸ CCR3 P51677 1/20 0.41
▸ PARP1 P09874 3/20 0.40
▸ CYP2D6 P10635 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL19008144 0.92 MAP4K4 (0.49) MAP4K4CCR3CCR5HRH3
SCHEMBL18626531 0.83 KDM4E (0.49) MAP4K4CYP2D6HRH3
SCHEMBL15587588 0.82 MAP4K4 (0.50) MAP4K4CCR3PARP1CYP2D6HRH1
SCHEMBL17896303 0.79 MAP4K4 (0.53) MAP4K4CCR3
SCHEMBL18626504 0.79 LMNA (0.46) MAP4K4CYP2D6TNKS
SCHEMBL14924037 0.79 ALDH1A1 (0.50) PARP1TNKSHRH3
SCHEMBL18626467 0.78 MAP4K4 (0.49) MAP4K4HRH3
SCHEMBL18626533 0.77 MAP4K4 (0.50) MAP4K4CYP2D6
SCHEMBL21709586 0.77 ABL1 (0.41) MAP4K4CYP2D6KCNH2CCR5
SCHEMBL15587584 0.75 MAP4K4 (0.50) MAP4K4CYP2D6

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 MAP4K4 662/4885CCR3 313/4885PARP1 145/4885

“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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