SCHEMBL19008147

SCHEMBL19008147

CC1CCC(NCc2cccc(C(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ BACE1 P56817 6/20 0.45
▸ CTSD P07339 4/20 0.45
▸ ACHE P22303 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ CARM1 Q86X55 3/20 0.40
▸ PRMT6 Q96LA8 3/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL5022826 0.94 ALDH1A1 (0.51) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008153 0.88 ALDH1A1 (0.56) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL18626538 0.88 ALDH1A1 (0.60) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008156 0.87 ALDH1A1 (0.46) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008149 0.84 ALDH1A1 (0.46) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008152 0.81 BACE1 (0.52) ALDH1A1BACE1CTSD
SCHEMBL17896775 0.80 ACHE (0.62) ALDH1A1BACE1ACHELTA4HPOLB
SCHEMBL19008166 0.79 BACE1 (0.47) ALDH1A1BACE1CTSDCARM1PRMT6
SCHEMBL19524681 0.79 CARM1 (0.60) ALDH1A1BACE1ACHELTA4HPOLB
SCHEMBL18626535 0.78 TSHR (0.43) ALDH1A1LTA4HPOLBTSHRL3MBTL1

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-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 ALDH1A1 586/4885BACE1 3929/4885CTSD 3865/4885

“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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