SCHEMBL3768431

SCHEMBL3768431

Cc1n[nH]c2ccnc(Nc3ccc4ncoc4c3)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 2/20 0.46
PIP4K2A P48426 1/20 0.45
PIP4K2C Q8TBX8 1/20 0.45
TGFBR1 P36897 1/20 0.42
LRRK2 Q5S007 5/20 0.42
GRM4 Q14833 7/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 1/20 0.36
ULK1 O75385 1/20 0.36
ULK2 Q8IYT8 1/20 0.36

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
SCHEMBL3775905 0.82 LRRK2 (0.46) LRRK2GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL19566588 0.80 PRKD1 (0.34) PRKD1PIP4K2APIP4K2CTGFBR1PIK3CA
SCHEMBL13060922 0.79 MAPT (0.45) LRRK2GRM4LMNANPC1RAB9A
SCHEMBL3775844 0.79 ADRA2A (0.50) LRRK2
SCHEMBL3770441 0.78 GRM4 (0.61) TGFBR1LRRK2GRM4LMNANPC1
SCHEMBL3769990 0.78 LRRK2 (0.42) LRRK2GRM4NPC1RAB9A
SCHEMBL3775329 0.77 LRRK2 (0.61) LRRK2GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL3769220 0.77 LRRK2 (0.70) PRKD1TGFBR1LRRK2GRM4
SCHEMBL3762265 0.77 GRM4 (0.54) LRRK2GRM4
SCHEMBL3768341 0.75 GRM4 (0.59) LRRK2GRM4NPC1RAB9ASMN1; SMN2

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 PRKD1 3643/4885PIP4K2A 3436/4885PIP4K2C 3162/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PRKD1 3639/4885PIP4K2A 3403/4885PIP4K2C 3143/4885

“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.