SCHEMBL3789505

SCHEMBL3789505

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(Nc2ncccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.41
MERTK Q12866 2/20 0.41
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK10 P53779 8/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK12 Q9NYV4 2/20 0.36
CCNK O75909 1/20 0.36
MAPK3 P27361 4/20 0.35

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
SCHEMBL3683978 0.90 TYRO3 (0.42) TYRO3MERTK
SCHEMBL3790725 0.88 EPHX2 (0.38) TYRO3MERTKCCNCCDK8
SCHEMBL3790727 0.88 EPHX2 (0.38) TYRO3MERTKCCNCCDK8
SCHEMBL3683862 0.87 TYRO3 (0.38) TYRO3MERTKCCNCCDK8
SCHEMBL7500241 0.87 TYRO3 (0.38) TYRO3MERTKCCNCCDK8
SCHEMBL7496017 0.86 KDM5B (0.41)
SCHEMBL3699901 0.86 KDM5B (0.41)
SCHEMBL3689038 0.85 DPP4 (0.38) TYRO3MERTK
SCHEMBL7495678 0.85 DPP4 (0.38) TYRO3MERTK
SCHEMBL3784079 0.85 GFER (0.41) TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
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 TYRO3 4163/4885MERTK 1560/4885CYP3A4 196/4885

“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.