SCHEMBL3385589

SCHEMBL3385589

N=c1c2ccccc2nc2n1CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HSD17B10 Q99714 2/20 0.67
USP2 O75604 1/20 0.67
CYP1A2 P05177 1/20 0.67
BCHE P06276 1/20 0.67
CFTR P13569 1/20 0.67
ALOX15 P16050 1/20 0.67
HKDC1 Q2TB90 1/20 0.67
GOPC Q9HD26 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9541773 0.95 MEN1 (0.66) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL9387899 0.94 MEN1 (0.68) ACHEKDM4EALDH1A1HSD17B10USP2
Deoxyvasicinone SCHEMBL864139 0.80 ALDH1A1 (1.00) ACHEKDM4EALDH1A1HSD17B10USP2
Deoxyvasicinone SCHEMBL29359475 0.80 ALDH1A1 (1.00) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL8969079 0.78 ACHE (0.89) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL29618881 0.75 MEN1 (0.97) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL5511965 0.75 MEN1 (0.97) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL503163 0.75 ALDH1A1 (0.60) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL8969257 0.75 POLB (0.50) ACHEKDM4EALDH1A1HSD17B10USP2
SCHEMBL6288230 0.74 MEN1 (1.00) ACHEKDM4EALDH1A1HSD17B10USP2

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
EP-1594873-B1 PYRROLIDINOHYDROCHINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2010-12-15 EP disclosed
US-7214703-B2 Compounds for modulators of chemokine activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-08 US disclosed
EP-1594873-A1 PYRROLIDINOHYDROCHINAZOLINES Boehringer Ingelheim International GmbH (DE) 2005-11-16 EP disclosed
US-20050027122-A1 Compounds for modulators of chemokine activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
WO-2004072074-A1 PYRROLIDINOHYDROCHINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-26 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-20050027122-A1 Compounds for modulators of chemokine activity CXCR2, CCL2, CXCR1 ACHE 2548/4885KDM4E 4846/4885ALDH1A1 604/4885

“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.