SCHEMBL3775299

SCHEMBL3775299

Cc1n[nH]c2ccnc(-c3cccc(F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.47
CLK2 P49760 9/20 0.44
CLK3 P49761 9/20 0.44
DYRK1A Q13627 9/20 0.44
TTK P33981 1/20 0.42
PIM1 P11309 1/20 0.41
LRRK2 Q5S007 1/20 0.41
FYN P06241 3/20 0.40
NTRK1 P04629 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR7 P34969 1/20 0.39
MAP2K4 P45985 1/20 0.39

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 0.82 PDE3B (0.46) CLK2CLK3DYRK1ATTKLRRK2
SCHEMBL3766533 0.82 TTK (0.58) TDO2CLK2DYRK1ATTKPIM1
SCHEMBL3783350 0.81 DYRK1A (0.48) CLK2CLK3DYRK1ATTKLRRK2
SCHEMBL3762138 0.76 CYP1A2 (0.47) LRRK2FYN
SCHEMBL3775330 0.75 MRGPRX1 (0.47) LRRK2
SCHEMBL3771920 0.75 GRM4 (0.56) FYN
SCHEMBL3769258 0.74 PIM1 (0.42) CLK2CLK3DYRK1ATTKPIM1
SCHEMBL3780725 0.73 CLK4 (0.46) CLK2DYRK1ALRRK2MAPK14MAP2K4
SCHEMBL3775810 0.72 TTK (0.66) TDO2CLK2CLK3DYRK1ATTK
SCHEMBL695846 0.71 MAP2K4 (0.41) TTKPIM1NTRK1HTR7MAP2K4

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 TDO2 4001/4885CLK2 2298/4885CLK3 846/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TDO2 4007/4885CLK2 2296/4885CLK3 864/4885

“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.