SCHEMBL2797336

SCHEMBL2797336

Nc1cc(CCCC(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
TACR1 P25103 5/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
FDFT1 P37268 2/20 0.33
ATM Q13315 1/20 0.33
DAO P14920 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MAOB P27338 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 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
SCHEMBL2791633 0.90 TAAR1 (0.40) IDO1NOS3NOS1TACR1TSHR
SCHEMBL2795945 0.81 TAAR1 (0.41) IDO1NOS3NOS1TACR1TSHR
SCHEMBL2793246 0.81 TAAR1 (0.41) IDO1NOS3NOS1TACR1TSHR
SCHEMBL2793515 0.79 IDO1 (0.41) IDO1TACR1TSHRMAPK1TAAR1
SCHEMBL16215293 0.78 HTR2A (0.40) IDO1NOS3NOS1TACR1TSHR
SCHEMBL2793814 0.77 TAAR1 (0.43) IDO1NOS3NOS1TSHRMAPK1
SCHEMBL806196 0.77 TAAR1 (0.56) IDO1TSHRMAPK1TAAR1HTR2A
SCHEMBL445763 0.75 TACR1 (0.44) NOS3NOS1TACR1
Hydrochloric Acid SCHEMBL23577777 0.75 TAAR1 (0.55) IDO1TSHRMAPK1TAAR1HTR2A
SCHEMBL12398665 0.75 IDO1 (0.41) IDO1NOS3NOS1TACR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921078-B1 MULTIKINASE INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-09 EP disclosed
EP-1921078-B1 MULTIKINASE INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-09 EP disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 US disclosed
US-8299252-B2 Pyrazolopyridine and pyrrolopyridine multikinase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-30 US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
US-20100168430-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-01 US disclosed
EP-1921078-A1 MULTIKINASE INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-14 EP 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-20100168430-A1 MULTIKINASE INHIBITOR REN, RAF1, CHUK IDO1 2346/4885NOS3 1317/4885NOS1 1570/4885

“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.