SCHEMBL3775330

SCHEMBL3775330

Cc1n[nH]c2ccnc(Oc3cccc(F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.47
MAPK8 P45983 2/20 0.41
DRD1 P21728 8/20 0.40
F10 P00742 1/20 0.39
EGFR P00533 1/20 0.37
LRRK2 Q5S007 3/20 0.37
TRPA1 O75762 2/20 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
SCHEMBL17624250 0.76 MRGPRX1 (0.50) MRGPRX1F10
SCHEMBL3775299 0.75 TDO2 (0.47) LRRK2
SCHEMBL4144767 0.73 KIT (0.48)
SCHEMBL3780725 0.72 CLK4 (0.46) MAPK8LRRK2
SCHEMBL17624260 0.72 MRGPRX1 (0.49) MRGPRX1F10
SCHEMBL3771920 0.72 GRM4 (0.56) EGFR
SCHEMBL17524615 0.70 MRGPRX1 (0.45) MRGPRX1F10EGFRTRPA1
SCHEMBL381290 0.70 LRRK2 (0.58) LRRK2
SCHEMBL3771524 0.70 UTS2R (0.45)
SCHEMBL3775472 0.69 LRRK2 (0.59) LRRK2

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 MRGPRX1 249/4885MAPK8 1739/4885DRD1 340/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MRGPRX1 243/4885MAPK8 1759/4885DRD1 359/4885

“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.