SCHEMBL5256282

SCHEMBL5256282

N#Cc1cnc2cc3nccnc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
HTT P42858 1/20 0.39
CDC7 O00311 1/20 0.38
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL4984360 0.79 HPGDS (0.57) HPGDSHTTCDC7ALDH1A1PDGFRB
SCHEMBL5251617 0.75 HPGDS (0.45) HPGDSHTTCDC7KDM4EALDH1A1
SCHEMBL5255546 0.74 HPGDS (0.44) HPGDSHTTCDC7KDM4EALDH1A1
SCHEMBL5255547 0.74 HPGDS (0.44) HPGDSHTTKDM4EALDH1A1
SCHEMBL30083616 0.73 HPGDS (0.42) HPGDSHTTCDC7ALDH1A1CYP11B2
SCHEMBL1119324 0.73 HPGDS (0.42) HPGDSHTTCDC7ALDH1A1CYP11B2
SCHEMBL6385043 0.73 PDGFRB (0.63) HPGDSPDGFRBPDGFRA
SCHEMBL5260088 0.73 HPGDS (0.43) HPGDSHTTCDC7KDM4EALDH1A1
SCHEMBL5260083 0.73 HPGDS (0.43) HPGDSHTTCDC7KDM4EALDH1A1
SCHEMBL29712793 0.72 HTT (0.41) HPGDSHTTCDC7CCNB2CDK1

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
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP claimed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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 (3 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 HPGDS 2439/4885HTT 3675/4885CDC7 53/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 HPGDS 2539/4885HTT 3724/4885CDC7 51/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 HPGDS 3253/4885HTT 3920/4885CDC7 48/4885

“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.