SCHEMBL4027680

SCHEMBL4027680

Nc1nccc(-c2ccc3noc(-c4ccc(Br)cc4)c3c2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.78
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KMO O15229 1/20 0.45
PRKACA P17612 4/20 0.43
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
PRKACG P22612 3/20 0.43
PRKACB P22694 3/20 0.43
GSK3B P49841 3/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43
CLK1 P49759 2/20 0.43
CSNK1G2 P78368 2/20 0.43
CSNK1G1 Q9HCP0 2/20 0.43

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
SCHEMBL4024518 0.88 PIM1 (0.68) PIM1MEN1KMT2AKMOPRKACA
SCHEMBL4031585 0.88 PIM1 (1.00) PIM1MEN1KMT2AKMOPRKACA
SCHEMBL13909066 0.82 PIM1 (0.69) PIM1KMOPRKACAPRKACGPRKACB
SCHEMBL14499905 0.81 PIM1 (0.69) PIM1KMOPRKACAGSK3BPDPK1
SCHEMBL4033705 0.81 PIM1 (0.67) PIM1CDK1CDK2KDRJAK3
SCHEMBL4027259 0.81 PIM1 (0.67) PIM1KMOCDK1GSK3BPDPK1
SCHEMBL14499939 0.80 PIM1 (0.67) PIM1MEN1KMT2AKMOPDPK1
SCHEMBL13811881 0.79 PIM1 (0.65) PIM1MEN1KMT2ACDK1CHUK
SCHEMBL13811985 0.76 PIM1 (0.60) PIM1CDK1GSK3BCDK2SYK
SCHEMBL474287 0.76 HSP90AA1 (0.66) PIM1MEN1KMT2AKMOPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399440-B1 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2009-06-03 EP disclosed
US-20050228005-A1 Protein kinase inhibitors and uses thereof MOON YOUNG C 2005-10-13 US disclosed
US-6825190-B2 4-(1,2- OR 2,1-BENZOXAZOL-5-YL)-2-AMINOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED 2004-11-30 US disclosed
WO-2002102800-A9 5-(2-AMINOPYRIMIDIN-4-YL) BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2004-05-06 WO disclosed
EP-1399440-A1 5-(2-AMINOPYRIMIDIN-4-YL)BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-03-24 EP disclosed
US-20040009996-A1 Protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 US disclosed
WO-2002102800-A1 5-(2-AMINOPYRIMIDIN-4-YL) BENZISOXAZOLES AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-12-27 WO 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 (2 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-20040009996-A1 Protein kinase inhibitors and uses thereof GSK3A, GSK3B, JAK3 PIM1 425/4885MEN1 4291/4885KMT2A 2200/4885
US-20050228005-A1 Protein kinase inhibitors and uses thereof GSK3A, JAK3, GSK3B PIM1 536/4885MEN1 3629/4885KMT2A 2441/4885

“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.