SCHEMBL2823155

SCHEMBL2823155

CCC(=O)Nc1cccc(-c2cncc(Nc3ccc(OC)cc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.60
MTNR1B P49286 3/20 0.60
XDH P47989 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
BRAF P15056 2/20 0.56
FYN P06241 2/20 0.56
DYRK1A Q13627 1/20 0.53
FLT3 P36888 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGDS O60760 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL4198997 0.87 BRAF (0.72) MTNR1AMTNR1BXDHSLC22A12BRAF
SCHEMBL2822717 0.84 XDH (0.57) XDHSLC22A12BRAFFYNADORA3
SCHEMBL2818890 0.84 MTNR1B (0.60) MTNR1BXDHSLC22A12BRAFFYN
SCHEMBL2820197 0.83 ADORA3 (0.69) XDHSLC22A12BRAFFYNMEN1
SCHEMBL2822415 0.83 ADORA3 (0.61) XDHSLC22A12BRAFFYNMEN1
SCHEMBL13254748 0.81 KCNK3 (0.60) XDHSLC22A12BRAFFYNMEN1
SCHEMBL2818641 0.81 TSHR (0.65) XDHSLC22A12BRAFFYNMEN1
SCHEMBL2819678 0.81 MAPT (0.62) XDHSLC22A12BRAFFYNMEN1
SCHEMBL2819723 0.81 XDH (0.53) XDHSLC22A12BRAFFYNMEN1
SCHEMBL2818742 0.80 SMO (0.58) XDHSLC22A12BRAFFYNMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP claimed
US-20080221171-A1 Phenylaminopyridines BASILEA PHARMACEUTICA AG (CH) 2008-09-11 US claimed
EP-1789044-A1 PHENYLAMINOPYRIDINES Basilea Pharmaceutica AG (CH) 2007-05-30 EP claimed
WO-2006027348-A1 PHENYLAMINOPYRIDINES BASILEA PHARMACEUTICA AG (CH) 2006-03-16 WO claimed

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-20080221171-A1 Phenylaminopyridines P2RY11, BCL9, TPMT MTNR1A 1157/4885MTNR1B 472/4885XDH 600/4885

“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.