SCHEMBL10169147

SCHEMBL10169147

Cc1cc(CCN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.44
NOS2 P35228 6/20 0.44
NOS3 P29474 6/20 0.44
TACR1 P25103 4/20 0.43
TAAR1 Q96RJ0 4/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10104415 0.90 TACR1 (0.45) NOS1NOS2NOS3TACR1
SCHEMBL14492896 0.89 TACR1 (0.50) NOS1NOS2NOS3TACR1TAAR1
SCHEMBL15077173 0.82 TACR1 (0.46) NOS1NOS2NOS3TACR1TAAR1
SCHEMBL10104524 0.81 TACR1 (0.41) NOS1NOS2NOS3TACR1RAPGEF4
SCHEMBL806193 0.81 NOS1 (0.49) NOS1NOS2NOS3TACR1TAAR1
SCHEMBL11564261 0.80 TAAR1 (0.50) NOS1NOS2NOS3TAAR1HRH3
SCHEMBL13983514 0.79 NOS1 (0.43) NOS1NOS2NOS3TAAR1RAPGEF4
Hydrochloric Acid SCHEMBL787716 0.79 NOS1 (0.50) NOS1NOS2NOS3TACR1TAAR1
SCHEMBL14570493 0.78 IDO1 (0.43) NOS1NOS2NOS3TACR1TAAR1
SCHEMBL16515444 0.78 TAAR1 (0.55) NOS1NOS2NOS3TAAR1RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOS1 1852/4885NOS2 2443/4885NOS3 3097/4885

“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.