SCHEMBL18626550

SCHEMBL18626550

CCOC(=O)N1CCC(NCc2cccc(C(C)C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ CHRM2 P08172 4/20 0.50
▸ CHRM5 P08912 4/20 0.50
▸ CHRM3 P20309 3/20 0.50
▸ LMNA P02545 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ NOS2 P35228 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PLAU P00749 1/20 0.47
▸ PLAT P00750 1/20 0.47

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
SCHEMBL19008157 0.86 DRD4 (0.49) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL15587415 0.86 ACHE (0.59) MEN1KMT2AKDM4EALDH1A1CHRM2
SCHEMBL19016262 0.86 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1CHRM2
SCHEMBL19008159 0.83 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1CHRM2
SCHEMBL9699514 0.83 KMT2A (0.70) MEN1KMT2AKDM4EALDH1A1CHRM2
SCHEMBL9537612 0.79 KMT2A (0.65) MEN1KMT2AKDM4EALDH1A1CHRM2
SCHEMBL5022826 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1
SCHEMBL18626538 0.76 ALDH1A1 (0.60) KDM4EALDH1A1HTTNPSR1
SCHEMBL19008153 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HTTNPSR1
SCHEMBL6981183 0.74 KDM4E (0.67) MEN1KMT2AKDM4EALDH1A1CHRM2

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 MEN1 1241/4885KMT2A 1463/4885KDM4E 1052/4885

“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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