SCHEMBL5370179

SCHEMBL5370179

Cc1nn(C)c2c(-c3ccccc3)nc(-c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 1/20 0.45
KDM4C Q9H3R0 2/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ADK P55263 1/20 0.39
TDP2 O95551 1/20 0.39
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL5378734 0.83 TDP2 (0.48) KDM4EDPP4KDM4CMAPTTDP2
SCHEMBL6103579 0.82 ALOX5 (0.43) KDM4CNR1H2NR1H3
SCHEMBL6101545 0.82 NR1H2 (0.46) KDM4CNR1H2NR1H3NPC1RAB9A
SCHEMBL5410928 0.82 PDE5A (0.51) KDM4ESMN1; SMN2DPP4KDM4CNPC1
SCHEMBL6105391 0.78 NR1H2 (0.36) KDM4ESMN1; SMN2DPP4KDM4CNR1H2
SCHEMBL5333855 0.77 DPP4 (0.52) KDM4ESMN1; SMN2DPP4NPC1RAB9A
SCHEMBL5366721 0.76 LMNA (0.53) KDM4CNR1H2NR1H3NPC1RAB9A
SCHEMBL6103853 0.76 NR1H2 (0.41) KDM4CNR1H2NR1H3NPC1RAB9A
SCHEMBL6104626 0.75 ABCG2 (0.57) SMN1; SMN2MAPTALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL5361695 0.74 ABCG2 (0.56) SMN1; SMN2MAPTALDH1A1LMNAMEN1

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-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG KDM4E 2836/4885SMN1; SMN2 3629/4885DPP4 1020/4885

“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.