SCHEMBL1393285

SCHEMBL1393285

NC(=O)c1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.48
ZAP70 P43403 2/20 0.48
CAMK1D Q8IU85 2/20 0.48
PRKCE Q02156 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
AURKA O14965 3/20 0.46
RORC P51449 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
LCK P06239 1/20 0.44
CFTR P13569 1/20 0.44
MTOR P42345 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1391714 0.92 SYK (0.47) SYKZAP70CAMK1DPRKCEBTK
SCHEMBL1392179 0.89 LMNA (0.45) SYKCAMK1DAURKARORCLMNA
SCHEMBL1392013 0.88 RORC (0.58) SYKZAP70CAMK1DAURKARORC
SCHEMBL1392508 0.87 LMNA (0.52) AURKALMNAMAPTMAPK1CFTR
SCHEMBL1392421 0.84 LMNA (0.49) RORCLMNAMAPTMAPK1CFTR
SCHEMBL1392911 0.84 LMNA (0.57) AURKALMNAMAPTMAPK1CFTR
SCHEMBL1391988 0.83 LMNA (0.45) SYKCAMK1DAURKARORCLMNA
SCHEMBL1391943 0.83 LMNA (0.54) AURKALMNAMAPTMAPK1CFTR
SCHEMBL1392288 0.82 LMNA (0.49) RORCLMNAMAPTMAPK1CFTR
SCHEMBL1393150 0.82 LMNA (0.52) AURKALMNAMAPTMAPK1CFTR

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 6 patents. 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
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 WO 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 (2 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 SYK 3727/4885ZAP70 3306/4885CAMK1D 965/4885
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS SYK 3830/4885ZAP70 317/4885CAMK1D 4557/4885

“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.