SCHEMBL3768979

SCHEMBL3768979

Cc1n[nH]c2ccnc(Nc3cccc(-c4ccn(C)n4)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
PIM1 P11309 1/20 0.39
SYK P43405 1/20 0.39
GRM4 Q14833 10/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
LRRK2 Q5S007 2/20 0.36
KMT2A Q03164 1/20 0.36
MPO P05164 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL3768341 0.79 GRM4 (0.59) GRM4LRRK2KMT2AEGFR
SCHEMBL3777103 0.78 LRRK2 (0.38) SYKLRRK2
SCHEMBL3777119 0.77 GRM4 (0.39) GRM4LRRK2EGFR
SCHEMBL3771231 0.77 GRM4 (0.56) GRM4KMT2AEGFR
SCHEMBL3769390 0.77 EGFR (0.54) GRM4EGFR
SCHEMBL3775816 0.77 EGFR (0.54) PIM1SYKGRM4EGFR
SCHEMBL13060929 0.77 GRM4 (0.44) GRM4LRRK2EGFR
SCHEMBL3771920 0.77 GRM4 (0.56) GRM4KMT2AEGFR
SCHEMBL3774794 0.76 GRM4 (0.50) GRM4LRRK2KMT2AEGFR
SCHEMBL3773000 0.76 NOTUM (0.42) PIM1GRM4EGFR

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 AAK1 4486/4885PIM1 4300/4885SYK 2282/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 AAK1 4508/4885PIM1 4318/4885SYK 2298/4885

“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.