SCHEMBL6489332

SCHEMBL6489332

c1ccc(-c2cc3ncccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.61
CDK1 P06493 3/20 0.61
CCNB1 P14635 3/20 0.61
CCNB3 Q8WWL7 3/20 0.61
CDK5 Q00535 2/20 0.61
CDK5R1 Q15078 2/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
KDM4A O75164 1/20 0.50
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
DAO P14920 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
CYP19A1 P11511 4/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL2289799 0.87 DAO (0.47) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL2284708 0.84 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL8602417 0.76 ADORA2A (0.59) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL23207344 0.76 QPCT (0.55) NPC1RAB9ADAOATAD2KDM4E
SCHEMBL29912855 0.76 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL490933 0.76 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL14976218 0.75 CCNB2 (0.49) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL18446120 0.74 ITK (0.63) KDM4EHPGDGAAALDH1A1
SCHEMBL20252218 0.73 DAO (0.38) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL19976237 0.73 CDK8 (0.52) CDK1CDK5GSK3BRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778495-B Cadmium metal organic framework complex and preparation method thereof 宁波大学 2021-01-12 CN disclosed
CN-107778495-A A kind of cadmium metal organic frame complex and preparation method thereof 宁波大学 2018-03-09 CN disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 CCNB2 1062/4885CDK1 822/4885CCNB1 423/4885

“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.