SCHEMBL2818641

SCHEMBL2818641

COc1ccc(Nc2cncc(-c3cccc(NC(=O)c4cccnc4)c3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.58
BRAF P15056 2/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CSF1R P07333 1/20 0.54
MAPT P10636 1/20 0.54
XDH P47989 1/20 0.53
SLC22A12 Q96S37 1/20 0.53
KCNK3 O14649 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL2820197 0.91 ADORA3 (0.69) TSHRSMN1; SMN2KMT2APOLBRAB9A
SCHEMBL2822415 0.90 ADORA3 (0.61) TSHRSMN1; SMN2KMT2APOLBRAB9A
SCHEMBL2822758 0.84 KMT2A (0.63) SMN1; SMN2KMT2APOLBRAB9AALDH1A1
SCHEMBL6352080 0.84 ALDH1A1 (0.76) TSHRSMN1; SMN2KMT2APOLBRAB9A
SCHEMBL4198997 0.84 BRAF (0.72) BRAFADORA3XDHSLC22A12FYN
SCHEMBL2819678 0.84 MAPT (0.62) SMN1; SMN2KMT2ARAB9AALDH1A1BRAF
SCHEMBL2820132 0.82 MAPT (0.53) KMT2APOLBRAB9AALDH1A1BRAF
SCHEMBL5420319 0.81 KMT2A (0.90) SMN1; SMN2KMT2APOLBRAB9AALDH1A1
SCHEMBL2822717 0.81 XDH (0.57) TSHRSMN1; SMN2RAB9AALDH1A1BRAF
SCHEMBL2818890 0.81 MTNR1B (0.60) KMT2ARAB9AALDH1A1BRAFKDM4E

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 TSHR 442/4885SMN1; SMN2 2804/4885KMT2A 2811/4885

“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.