SCHEMBL794772

SCHEMBL794772

CN1CC=C(c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
QDPR P09417 3/20 0.40
MET P08581 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL15077314 0.83 SLC6A4 (0.50) SLC6A4QDPR
SCHEMBL16904565 0.82 TDP1 (0.32) SLC6A4METL3MBTL1LMNAMAPK1
SCHEMBL15554737 0.82 POLB (0.35) TDP1
SCHEMBL15053093 0.82 CYP2C9 (0.37) QDPRL3MBTL1
SCHEMBL15053094 0.82 CYP2C9 (0.37) QDPRL3MBTL1
SCHEMBL27948291 0.82 KDM4E (0.36)
SCHEMBL10104501 0.80 QDPR (0.47) SLC6A4QDPR
SCHEMBL794011 0.79 NAMPT (0.45) LMNA
SCHEMBL427451 0.78 QDPR (0.45) QDPR
SCHEMBL14810722 0.77 QDPR (0.58) SLC6A4QDPRL3MBTL1LMNA

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
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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 (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-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 SLC6A4 4690/4885QDPR 4259/4885MET 2087/4885

“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.