SCHEMBL3784923

SCHEMBL3784923

O=C(O)c1nc2c(C(F)(F)F)cc(C3=CCCC3)cn2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KMT2A Q03164 1/20 0.31
P2RY14 Q15391 1/20 0.31
MAPT P10636 1/20 0.30
MAT2A P31153 1/20 0.30

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
SCHEMBL3689621 0.97 ACMSD (0.36) ACMSDPDE3BPDE3AKMT2AP2RY14
SCHEMBL3786834 0.88 NOTUM (0.36) PDE3BPDE3AKMT2AMAPT
SCHEMBL3696565 0.82 PTGER1 (0.36) KMT2A
SCHEMBL3689623 0.79 LDHA (0.43) KMT2AMAPT
SCHEMBL3786771 0.78 P2RX7 (0.33)
SCHEMBL3693899 0.78 KMO (0.32) MAPT
SCHEMBL13229048 0.77 KDM4E (0.34) KMT2AMAPT
SCHEMBL3072334 0.77 F10 (0.34) PDE3BPDE3A
SCHEMBL3692564 0.77 MARS1 (0.39) P2RY14
SCHEMBL3691379 0.77 FTO (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ACMSD 1846/4885PDE3B 2002/4885PDE3A 2044/4885

“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.