SCHEMBL3777374

SCHEMBL3777374

Cc1n[nH]c2ccnc(Nc3cccc(N4CCOCC4)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
PLK4 O00444 2/20 0.46
PIM1 P11309 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHB4 P54760 1/20 0.44
JAK2 O60674 1/20 0.44
CCNT1 O60563 4/20 0.44
CDK2 P24941 4/20 0.44
CDK9 P50750 4/20 0.44
CCNE1 P24864 1/20 0.44
GRM4 Q14833 1/20 0.43
TGFBR1 P36897 1/20 0.43
CAMK2D Q13557 1/20 0.43
CCNA2 P20248 3/20 0.43
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL3769241 0.88 CDK2 (0.48) TTBK1TTBK2PLK4EPHB4JAK2
SCHEMBL3770286 0.84 PLK4 (0.49) PLK4JAK2GRM4JAK1JAK3
SCHEMBL3774714 0.80 GRM4 (0.37) CCNT1CDK2CDK9GRM4CCNA2
SCHEMBL3766184 0.80 GAA (0.47) GRM4JAK1JAK3LRRK2
SCHEMBL3770419 0.79 KIT (0.45) EPHB4TGFBR1LRRK2PDGFRA
SCHEMBL3768341 0.78 GRM4 (0.59) GRM4LRRK2SRC
SCHEMBL3774961 0.77 CCNE1 (0.48) PIM1JAK2CDK2CDK9CCNE1
SCHEMBL3770171 0.77 PLK4 (0.46) PLK4JAK2CDK2LRRK2CCNA1
SCHEMBL3771231 0.76 GRM4 (0.56) GRM4CDK1PDGFRBPDGFRASRC
SCHEMBL13060929 0.76 GRM4 (0.44) GRM4LRRK2

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 6 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
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 TTBK1 3323/4885TTBK2 3500/4885PLK4 3751/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TTBK1 3335/4885TTBK2 3469/4885PLK4 3723/4885

“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.