SCHEMBL2201726

SCHEMBL2201726

CN(C)CCN(C)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
NOS2 P35228 3/20 0.39
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
TACR1 P25103 3/20 0.35
BRAF P15056 3/20 0.35
NOS3 P29474 2/20 0.34
SYK P43405 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ABL1 P00519 1/20 0.32
NPC1 O15118 1/20 0.32
ABCB11 O95342 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL6816631 0.84 MAPT (0.39) NOS1NOS2TSHRMAPK1TACR1
SCHEMBL10104262 0.81 NOS1 (0.45) NOS1NOS2TSHRMAPK1TACR1
SCHEMBL24781287 0.79 NOS1 (0.41) NOS1NOS2TACR1
SCHEMBL6814842 0.79 TACR1 (0.40) NOS1NOS2TSHRMAPK1TACR1
SCHEMBL5114612 0.78 MAPK1 (0.42) NOS2TSHRMAPK1TACR1NOS3
SCHEMBL13130561 0.78 TACR1 (0.39) NOS1NOS2TACR1BRAFHRH3
SCHEMBL445763 0.75 TACR1 (0.44) NOS1NOS2TACR1NOS3KCNH2
SCHEMBL20568968 0.75 TACR1 (0.43) TACR1BRAFABL1
SCHEMBL12398713 0.75 TACR1 (0.43) TACR1BRAFABL1
SCHEMBL806193 0.75 NOS1 (0.49) NOS1NOS2TSHRMAPK1TACR1

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-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US disclosed
EP-2074125-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS Novartis Ag (CH) 2009-07-01 EP disclosed
WO-2008046802-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-24 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-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 NOS1 1875/4885NOS2 1393/4885TSHR 991/4885

“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.