SCHEMBL3769241

SCHEMBL3769241

Cc1n[nH]c2ccnc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.48
AURKA O14965 3/20 0.48
CDK4 P11802 3/20 0.48
AURKB Q96GD4 3/20 0.48
PDGFRA P16234 2/20 0.47
PDGFRB P09619 1/20 0.47
MAPK10 P53779 2/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
IGF1R P08069 4/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL3774961 0.88 CCNE1 (0.48) CDK2AURKAAURKBPDGFRAPDGFRB
SCHEMBL3777374 0.88 TTBK1 (0.51) CDK2PDGFRAPDGFRBTTBK1TTBK2
SCHEMBL3766184 0.87 GAA (0.47) MAPTALDH1A1HTTIGF1RKDM4E
SCHEMBL3770171 0.85 PLK4 (0.46) CDK2AURKAAURKBTP53MAPK1
SCHEMBL3768939 0.83 HPGD (0.55) MAPK10MAPTALDH1A1HTTKDM4E
SCHEMBL3770419 0.81 KIT (0.45) PDGFRAMAPTMAPK1ALDH1A1HTT
SCHEMBL3775329 0.80 LRRK2 (0.61) MAPTMAPK1HTTSMN1; SMN2KDR
SCHEMBL3766750 0.80 LRRK2 (0.48) CHEK1FYN
SCHEMBL3808253 0.79 LRRK2 (0.62) JAK2FYN
SCHEMBL3781871 0.78 PIP4K2A (0.48) CDK2MAPTHTTKDM4EPKM

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 CDK2 1783/4885AURKA 2750/4885CDK4 1252/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CDK2 1734/4885AURKA 2786/4885CDK4 1233/4885

“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.