SCHEMBL2820197

SCHEMBL2820197

COc1ccc(Nc2cncc(-c3cccc(NC(=O)c4ccccc4)c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.69
KCNK9 Q9NPC2 2/20 0.62
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
POLB P06746 3/20 0.61
XDH P47989 1/20 0.59
SLC22A12 Q96S37 1/20 0.59
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NLRP3 Q96P20 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
FYN P06241 1/20 0.55
BRAF P15056 1/20 0.55
KCNK3 O14649 1/20 0.55

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
SCHEMBL2822415 0.93 ADORA3 (0.61) ADORA3KCNK9KMT2AMEN1POLB
SCHEMBL2818641 0.91 TSHR (0.65) ADORA3KMT2AMEN1POLBXDH
SCHEMBL4198997 0.86 BRAF (0.72) ADORA3XDHSLC22A12FYNBRAF
SCHEMBL2819678 0.86 MAPT (0.62) ADORA3KMT2AMEN1XDHSLC22A12
SCHEMBL2818742 0.85 SMO (0.58) ADORA3KMT2AMEN1POLBXDH
SCHEMBL2818890 0.83 MTNR1B (0.60) ADORA3KMT2AMEN1XDHSLC22A12
SCHEMBL2822717 0.83 XDH (0.57) ADORA3XDHSLC22A12RAB9ANPC1
SCHEMBL2823155 0.83 MTNR1A (0.60) ADORA3KMT2AMEN1XDHSLC22A12
SCHEMBL2819002 0.83 KMT2A (0.62) KMT2AMEN1POLBXDHSLC22A12
SCHEMBL2823124 0.83 NPC1 (0.60) KMT2AMEN1POLBXDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288421-B2 neoplastic disease, autoimmune disease, transplantation related pathology and/or degenerative disease; selectively inducing apoptosis in cancer cells BASILEA PHARMACEUTICA AG (CH) 2012-10-16 US claimed
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
US-8288421-B2 neoplastic disease, autoimmune disease, transplantation related pathology and/or degenerative disease; selectively inducing apoptosis in cancer cells BASILEA PHARMACEUTICA AG (CH) 2012-10-16 US disclosed
EP-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP disclosed
US-20080221171-A1 Phenylaminopyridines BASILEA PHARMACEUTICA AG (CH) 2008-09-11 US 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-20080221171-A1 Phenylaminopyridines P2RY11, BCL9, TPMT ADORA3 94/4885KCNK9 531/4885KMT2A 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.