SCHEMBL3784974

SCHEMBL3784974

O=C(CCCl)N[C@@H]1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
EPHX2 P34913 3/20 0.36
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
KDM5A P29375 2/20 0.34
MAPK3 P27361 2/20 0.33
CCR2 P41597 4/20 0.32
RIPK1 Q13546 1/20 0.32
CCNC P24863 3/20 0.32
CDK8 P49336 3/20 0.32
GRIN2B Q13224 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL3784977 1.00 KMT2A (0.37) KMT2AEPHX2TYRO3MERTKKDM5A
SCHEMBL3790727 0.90 EPHX2 (0.38) EPHX2TYRO3MERTKKDM5ARIPK1
SCHEMBL3790725 0.90 EPHX2 (0.38) EPHX2TYRO3MERTKKDM5ARIPK1
SCHEMBL7500241 0.89 TYRO3 (0.38) EPHX2TYRO3MERTKKDM5ARIPK1
SCHEMBL3683862 0.89 TYRO3 (0.38) EPHX2TYRO3MERTKKDM5ARIPK1
SCHEMBL13228548 0.89 EPHX2 (0.34) EPHX2TYRO3MERTKRIPK1CCNC
SCHEMBL3792581 0.89 EPHX2 (0.34) EPHX2TYRO3MERTKRIPK1CCNC
SCHEMBL7496017 0.89 KDM5B (0.41) EPHX2KDM5A
SCHEMBL3699901 0.89 KDM5B (0.41) EPHX2KDM5A
SCHEMBL3787876 0.87 TEAD1 (0.41) EPHX2TYRO3MERTKMAPK3

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 2 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

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 KMT2A 3145/4885EPHX2 1834/4885TYRO3 4163/4885

“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.