SCHEMBL3773318

SCHEMBL3773318

Cc1n[nH]c2ccnc(Nc3ccc4[nH]ncc4c3)c12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.55
MAPKAPK2 P49137 1/20 0.51
EGFR P00533 3/20 0.49
CACNA2D1 P54289 1/20 0.48
ROCK2 O75116 2/20 0.47
KDR P35968 5/20 0.47
RET P07949 1/20 0.47
ERBB2 P04626 1/20 0.46
SYK P43405 1/20 0.46
ROCK1 Q13464 1/20 0.45
WEE1 P30291 1/20 0.45
ALK Q9UM73 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
SCHEMBL3778709 0.90 KDR (0.47) MKNK1EGFRKDRRETSYK
SCHEMBL13060922 0.81 MAPT (0.45)
SCHEMBL3770441 0.80 GRM4 (0.61) EGFR
SCHEMBL381085 0.79 GRM4 (0.62) EGFRKDRERBB2SYK
SCHEMBL3775329 0.79 LRRK2 (0.61) EGFRKDR
SCHEMBL13006164 0.79 LRRK2 (0.44)
SCHEMBL3775905 0.79 LRRK2 (0.46)
SCHEMBL3762265 0.79 GRM4 (0.54) KDR
SCHEMBL3774600 0.78 LRRK2 (0.44)
SCHEMBL28591601 0.78 MAPKAPK2 (0.60) MKNK1MAPKAPK2EGFRROCK2KDR

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 MKNK1 4235/4885MAPKAPK2 4302/4885EGFR 106/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MKNK1 4259/4885MAPKAPK2 4307/4885EGFR 102/4885

“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.