SCHEMBL3800944

SCHEMBL3800944

Cc1cccc(-c2nc(-c3cncc(NC(=O)CCN(C)C)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.59
TGFBR1 P36897 6/20 0.44
TGFBR2 P37173 3/20 0.44
TERT O14746 1/20 0.39
WNT1 P04628 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
EGFR P00533 2/20 0.37
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
DYRK1A Q13627 2/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL4151076 0.96 HPGDS (0.59) HPGDSTGFBR1TGFBR2WNT1GSK3A
SCHEMBL3724304 0.91 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CYP3A4
SCHEMBL3672577 0.91 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CYP3A4
SCHEMBL3665916 0.89 HPGDS (0.56) HPGDSTGFBR1TGFBR2WNT1CYP3A4
SCHEMBL4158356 0.87 TGFBR1 (0.47) HPGDSTGFBR1TGFBR2WNT1CYP3A4
SCHEMBL4164001 0.86 HPGDS (0.66) HPGDSTGFBR1TGFBR2TERTWNT1
SCHEMBL3722355 0.86 TGFBR1 (0.46) HPGDSTGFBR1TGFBR2WNT1CLK2
SCHEMBL3719671 0.83 TGFBR1 (0.41) HPGDSTGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4161445 0.83 KDR (0.48) HPGDSTGFBR1TGFBR2WNT1DYRK1A
SCHEMBL4154301 0.81 FYN (0.47) HPGDSTGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2009081366-A1 PALLADIUM AND PLATINUM PHOSPHINE COMPLEXES AND THEIR USE AS ANTI-TUMOUR AGENTS BOWEN RICHARD JOHN (AU) 2009-07-02 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 (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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 HPGDS 1987/4885TGFBR1 128/4885TGFBR2 443/4885

“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.