SCHEMBL6749324

SCHEMBL6749324

Cc1cc2cc(N)ccc2n1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.46
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
CSNK1A1 P48729 1/20 0.44
GSK3A P49840 1/20 0.44
LIMK1 P53667 1/20 0.44
IKBKE Q14164 1/20 0.44
MAPK14 Q16539 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PRKCI P41743 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
CCR2 P41597 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL1617658 0.82 BRPF1 (0.43) BRPF1CHEK1AURKADAPK3CSNK1A1
SCHEMBL4054875 0.79 KDM4E (0.53) AKR1C3AKR1C2TUBB1CCR2KDM4E
SCHEMBL19211743 0.79 MCL1 (0.53) AKR1C3AKR1C2TUBB1KDM4EMEN1
SCHEMBL27551332 0.79 AKR1C3 (0.52) AKR1C3AKR1C2CCR2MEN1KMT2A
SCHEMBL6479624 0.79 BRPF1 (0.43) BRPF1CHEK1AURKADAPK3CSNK1A1
SCHEMBL5107559 0.79 P2RX4 (0.41) BRPF1CHEK1AURKADAPK3CSNK1A1
SCHEMBL5436506 0.79 NR1H2 (0.44) BRPF1CHEK1AURKADAPK3CSNK1A1
SCHEMBL30343692 0.77 MCL1 (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL5967722 0.77 MCL1 (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL6253573 0.76 BRPF1 (0.41) BRPF1CHEK1AURKADAPK3CSNK1A1

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
CN-1946405-A Use of 9h-purine-2,6-diamine derivatives in the treatment of proliferative diseases and novel 9h-purine-2,6-diamine derivatives NOVARTIS AG (CH) 2007-04-11 CN claimed
CN-1946405-B Use of 9h-purine-2,6-diamine derivatives in the treatment of proliferative diseases and novel 9h-purine-2,6-diamine derivatives NOVARTIS AG 2010-10-13 CN disclosed
CN-1946405-A Use of 9h-purine-2,6-diamine derivatives in the treatment of proliferative diseases and novel 9h-purine-2,6-diamine derivatives NOVARTIS AG (CH) 2007-04-11 CN disclosed
US-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use ROMINES WILLIAM HENRY (US) 2004-01-29 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-20040019065-A1 Indolyl-urea derivatives of thienopyridines useful as antiangiogenic agents, and methods for their use CDKN1A, CCNA1, TYMP BRPF1 1746/4885CHEK1 195/4885AURKA 449/4885

“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.