SCHEMBL2818890

SCHEMBL2818890

COc1ccc(Nc2cncc(-c3cccc(NC(=O)C(C)C)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.60
XDH P47989 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
BRAF P15056 3/20 0.56
FYN P06241 2/20 0.56
PRMT6 Q96LA8 1/20 0.53
DYRK1A Q13627 1/20 0.53
ALDH1A1 P00352 3/20 0.48
ADORA3 P0DMS8 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PIP4K2A P48426 1/20 0.46
PIP4K2B P78356 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
PSEN1 P49768 1/20 0.45

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) MTNR1BXDHSLC22A12BRAFFYN
SCHEMBL2822717 0.84 XDH (0.57) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2823155 0.84 MTNR1A (0.60) MTNR1BXDHSLC22A12BRAFFYN
SCHEMBL2820197 0.83 ADORA3 (0.69) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2822415 0.83 ADORA3 (0.61) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2818641 0.81 TSHR (0.65) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2819678 0.81 MAPT (0.62) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2818742 0.80 SMO (0.58) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2819002 0.80 KMT2A (0.62) XDHSLC22A12BRAFFYNALDH1A1
SCHEMBL2823124 0.80 NPC1 (0.60) XDHSLC22A12BRAFFYNALDH1A1

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 MTNR1B 472/4885XDH 600/4885SLC22A12 3059/4885

“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.