SCHEMBL10169353

SCHEMBL10169353

CN(C)CCNc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
NOS2 P35228 4/20 0.40
NCF1 P14598 1/20 0.38
NOS1 P29475 3/20 0.37
NOS3 P29474 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
P2RX1 P51575 1/20 0.35
CCR2 P41597 3/20 0.35
TACR1 P25103 1/20 0.35

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
Hydrochloric Acid SCHEMBL793722 0.98 SYK (0.42) SYKNOS2NCF1NOS1NOS3
SCHEMBL14092979 0.82 SYK (0.38) SYKKDM4ETRPA1CYP1A2P2RX1
SCHEMBL10104260 0.82 RAPGEF4 (0.44) SYKNOS2NOS1KDM4ETRPA1
SCHEMBL16810278 0.80 ZAP70 (0.38) SYKTRPA1CYP1A2P2RX1
SCHEMBL14117049 0.79 CCR2 (0.39) SYKNOS2NOS1KDM4ETRPA1
SCHEMBL18485039 0.78 NOS2 (0.51) SYKNOS2NCF1NOS1HRH3
SCHEMBL28735466 0.77 LMNA (0.54) CCR2TACR1
SCHEMBL14955274 0.75 SYK (0.54) SYKNOS2NOS1KDM4E
SCHEMBL21203231 0.74 KDM4E (0.37) SYKNOS2NOS1NOS3KDM4E
SCHEMBL22184066 0.74 CCR2 (0.32) SYKNOS2NOS1NOS3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SYK 357/4885NOS2 2443/4885NCF1 2069/4885

“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.