SCHEMBL2822758

SCHEMBL2822758

COc1ccc(Nc2cncc(-c3cccc(NC(=O)c4cccnn4)c3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.63
XDH P47989 1/20 0.52
SLC22A12 Q96S37 1/20 0.52
BRAF P15056 3/20 0.51
FYN P06241 2/20 0.51
AHR P35869 1/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
RAB9A P51151 2/20 0.47
GRM4 Q14833 1/20 0.46

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
SCHEMBL2822763 0.92 KMT2A (0.56) KMT2AMEN1XDHSLC22A12AHR
SCHEMBL2819678 0.88 MAPT (0.62) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL2822765 0.85 KMT2A (0.51) KMT2AMEN1XDHSLC22A12KDM4E
SCHEMBL2818641 0.84 TSHR (0.65) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL2822415 0.84 ADORA3 (0.61) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL2820132 0.83 MAPT (0.53) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL2820197 0.83 ADORA3 (0.69) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL4198997 0.82 BRAF (0.72) XDHSLC22A12BRAFFYNADORA3
SCHEMBL2818742 0.81 SMO (0.58) KMT2AMEN1XDHSLC22A12BRAF
SCHEMBL2818890 0.79 MTNR1B (0.60) KMT2AMEN1XDHSLC22A12BRAF

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 KMT2A 2811/4885MEN1 2236/4885XDH 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.