SCHEMBL19008145

SCHEMBL19008145

CC(C)C(=O)N1CCN(Cc2cc(F)cc(C(C)C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.52
▸ MTNR1B P49286 1/20 0.50
▸ CYP2C9 P11712 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GPR183 P32249 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18626468 0.88 HRH3 (0.51) MAP4K4CYP2C9ALOX15TSHRCYP2C19
SCHEMBL18626533 0.87 MAP4K4 (0.50) MAP4K4CYP2C9ALOX15TSHRCYP2C19
SCHEMBL15587582 0.85 MAP4K4 (0.53) MAP4K4MTNR1BCYP2C9ALOX15TSHR
SCHEMBL17896301 0.84 MAP4K4 (0.51) MAP4K4CYP2C9ALOX15TSHRCYP2C19
SCHEMBL18626504 0.80 LMNA (0.46) MAP4K4CYP2C9ALOX15TSHRCYP2C19
SCHEMBL19008143 0.80 ALDH1A1 (0.49) MAP4K4CYP2C9ALOX15TSHRCYP2C19
SCHEMBL18626467 0.77 MAP4K4 (0.49) MAP4K4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18626531 0.77 KDM4E (0.49) MAP4K4TSHRCYP2D6ALDH1A1HTT
SCHEMBL18626469 0.75 MAP4K4 (0.47) MAP4K4SMN1; SMN2
SCHEMBL15587584 0.74 MAP4K4 (0.50) MAP4K4CYP2C9ALOX15TSHRCYP2C19

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 2 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

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 662/4885MTNR1B 533/4885CYP2C9 667/4885

“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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