SCHEMBL1391539

SCHEMBL1391539

CCOc1nc(NCC2CCCN(C)C2)nc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 13/20 0.52
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
PRKCQ Q04759 5/20 0.46

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
SCHEMBL1391944 0.90 IDH2 (0.60) IDH2MAPTLMNAMAPK1
SCHEMBL1391540 0.81 IDH2 (0.81) IDH2MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL3103521 0.80 IDH2 (0.79) IDH2MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL1391637 0.80 IDH2 (0.79) IDH2MAPTLMNAMAPK1
SCHEMBL1392553 0.79 IDH2 (0.59) IDH2MAPTLMNAMAPK1
SCHEMBL1391806 0.78 MAPT (0.73) IDH2MAPTLMNAMAPK1
SCHEMBL1393062 0.78 IDH2 (0.64) IDH2MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL3110110 0.78 IDH2 (0.58) IDH2MAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL1391553 0.78 IDH2 (0.58) IDH2MAPTLMNAMAPK1
SCHEMBL1391681 0.78 IDH2 (0.66) IDH2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS IDH2 1936/4885MAPT 3654/4885LMNA 3218/4885

“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.