SCHEMBL3909641

SCHEMBL3909641

O=c1c2ccccc2nc2n1CCC2Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.69
BCHE P06276 2/20 0.69
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CFTR P13569 1/20 0.50
ALOX15 P16050 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
GOPC Q9HD26 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 4/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8968931 0.82 ACHE (0.47) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL5511124 0.82 ACHE (0.69) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL3892901 0.82 ACHE (1.00) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL29638891 0.82 ACHE (1.00) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL5506588 0.77 ACHE (0.62) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL29196372 0.75 ACHE (0.60) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL11053382 0.74 ACHE (0.59) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL29152960 0.74 ACHE (0.62) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL29206842 0.74 ACHE (0.59) ACHEBCHEKDM4EALDH1A1HSD17B10
SCHEMBL17368665 0.73 ACHE (0.57) ACHEBCHEKDM4EALDH1A1HSD17B10

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
US-7495096-B2 Processes for the production of chinazoline alkaloids HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2009-02-24 US disclosed
EP-1590351-B1 METHODS FOR PRODUCING QUINAZOLINE ALKALOIDS HF ARZNEIMITTELFORSCH GMBH (DE) 2008-09-03 EP disclosed
US-20060084669-A1 PROCESSES FOR THE PRODUCTION OF CHINAZOLINE ALKALOIDS HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2006-04-20 US disclosed
EP-1590351-A1 METHODS FOR PRODUCING QUINAZOLINE ALKALOIDS HF ARZNEIMITTELFORSCHUNG GmbH (DE) 2005-11-02 EP disclosed
WO-2004069836-A1 METHODS FOR PRODUCING QUINAZOLINE ALKALOIDS HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2004-08-19 WO 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-20060084669-A1 PROCESSES FOR THE PRODUCTION OF CHINAZOLINE ALKALOIDS CYP3A7, PRMT7, CYP4Z1 ACHE 638/4885BCHE 99/4885KDM4E 2804/4885

“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.