SCHEMBL3766533

SCHEMBL3766533

Cc1n[nH]c2ccnc(-c3ccccc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.58
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
HPGD P15428 1/20 0.44
MAPK10 P53779 1/20 0.44
CHEK1 O14757 2/20 0.43
AKT2 P31751 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DCLK1 O15075 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CSF1R P07333 1/20 0.41
FER P16591 1/20 0.41

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
SCHEMBL3770383 0.84 PDE3B (0.46) TTKALDH1A1PDE3BPDE3ACDK5
SCHEMBL3775299 0.82 TDO2 (0.47) TTKCLK2DYRK1ATDO2PIM1
SCHEMBL3769184 0.80 TDO2 (0.45) TTKKDRTDO2MAPK1
SCHEMBL3783350 0.80 DYRK1A (0.48) TTKGAACLK2DYRK1ACLK4
SCHEMBL3775810 0.80 TTK (0.66) TTKCLK2DYRK1AKDRTDO2
SCHEMBL3769258 0.78 PIM1 (0.42) TTKCLK2DYRK1APIM1
SCHEMBL381537 0.76 LRRK2 (0.49) TTKKDM4EALDH1A1HPGDPDE3B
SCHEMBL382559 0.76 LRRK2 (0.55) PIM1PIM3PIM2MAPK1
SCHEMBL3762138 0.75 CYP1A2 (0.47) KDM4EALDH1A1HPGDCSNK1DCLK4
SCHEMBL3766750 0.75 LRRK2 (0.48) CHEK1

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 7 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
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP 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 TTK 3319/4885KDM4E 3996/4885ALDH1A1 2980/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TTK 3301/4885KDM4E 4033/4885ALDH1A1 2975/4885

“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.