SCHEMBL3769138

SCHEMBL3769138

c1cc2[nH]ncc2c(NC2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.60
LRRK2 Q5S007 5/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
APAF1 O14727 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDC7 O00311 2/20 0.46
WEE1 P30291 1/20 0.46
CDK1 P06493 3/20 0.45
CDK4 P11802 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNA2 P20248 3/20 0.45
CCND1 P24385 3/20 0.45
CDK2 P24941 3/20 0.45

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
SCHEMBL8291817 0.77 HPGDS (0.97) HPGDSHSD17B10JAK2JAK1
SCHEMBL5167369 0.75 GRIN2B (0.59)
SCHEMBL8291809 0.75 HPGDS (1.00) HPGDSHSD17B10
SCHEMBL5141661 0.74 GRIN2B (0.59)
SCHEMBL5140764 0.73 HTR1A (0.47) CDK1CDK4CCNA2CDK2CCNE1
SCHEMBL5140908 0.73 GRIN2B (0.74)
SCHEMBL6533753 0.73 GRIN2B (0.40) HPGDSLRRK2UTS2RHTR2AHTR2C
SCHEMBL5142207 0.73 GRIN2B (0.46) UTS2R
SCHEMBL5141039 0.72 GRIN2B (0.63)
SCHEMBL416367 0.71 LRRK2 (0.64) LRRK2KDM4EALDH1A1UTS2R

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
CN-102428084-B Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2016-05-18 CN disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
CN-102428084-A Compounds MEDICAL RES COUNCIL TECHNOLOGY 2012-04-25 CN disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 HPGDS 4303/4885LRRK2 2309/4885KDM4E 3996/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 HPGDS 4261/4885LRRK2 2208/4885KDM4E 4033/4885

“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.