SCHEMBL5745008

SCHEMBL5745008

Cc1ccnc2c1NC(=O)c1cc(CCOc3ccnc4ccccc34)cnc1N2C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
MAPK1 P28482 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
PDE3A Q14432 1/20 0.55
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
HTR1A P08908 4/20 0.36
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 2/20 0.32
KDM1A O60341 1/20 0.32
NR3C1 P04150 1/20 0.31
SSTR4 P31391 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5745378 0.90 ALDH1A1 (0.43) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5803618 0.87 ALDH1A1 (0.50) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5745402 0.87 CYP3A4 (0.56) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5744357 0.81 ALDH1A1 (0.64) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL6717247 0.80 ALDH1A1 (0.61) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL6712782 0.79 ALDH1A1 (0.62) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5743865 0.78 CYP3A4 (0.55) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5743842 0.78 CYP3A4 (0.55) LMNAALDH1A1POLBADORA3MAPK1
SCHEMBL5743638 0.77 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19HTR1ACYP1A2
SCHEMBL6717805 0.74 ALDH1A1 (0.70) LMNAALDH1A1POLBADORA3MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-04-05 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 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 (1 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-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E LMNA 3364/4885ALDH1A1 1770/4885POLB 11/4885

“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.