SCHEMBL3775217

SCHEMBL3775217

Cc1n[nH]c2ccnc(Nc3ccc(Cn4ccnc4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.48
CYP11B2 P19099 10/20 0.48
CYP19A1 P11511 6/20 0.48
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TBXAS1 P24557 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
LRRK2 Q5S007 2/20 0.40
CYP17A1 P05093 1/20 0.40

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
SCHEMBL13006149 0.89 LRRK2 (0.42) CYP11B1CYP11B2CYP19A1LRRK2
SCHEMBL3764047 0.89 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2TBXAS1
SCHEMBL3773018 0.83 CYP1A2 (0.42) CYP19A1CYP1A2CYP1A1CYP1B1CYP3A4
SCHEMBL3775083 0.81 AXL (0.46) LRRK2
SCHEMBL3770171 0.79 PLK4 (0.46) POLBLRRK2
SCHEMBL3775370 0.78 LRRK2 (0.63) CYP1A2CYP3A4LRRK2
SCHEMBL3775329 0.78 LRRK2 (0.61) MAPTLRRK2
SCHEMBL3771247 0.78 LRRK2 (0.43) MAPTLRRK2
SCHEMBL3805720 0.76 MAPK1 (0.52) POLBMAPT
SCHEMBL3766347 0.76 CDK1 (0.43) 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 CYP11B1 306/4885CYP11B2 322/4885CYP19A1 925/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B1 305/4885CYP11B2 317/4885CYP19A1 936/4885

“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.