SCHEMBL5313432

SCHEMBL5313432

Nc1nc(-c2ccnc3ccccc23)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
TTK P33981 1/20 0.51
AURKB Q96GD4 1/20 0.51
INCENP Q9NQS7 1/20 0.51
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NCF1 P14598 1/20 0.47
DYRK1A Q13627 2/20 0.47
NFATC1 O95644 1/20 0.47
TGFBR1 P36897 12/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK14 Q16539 6/20 0.43
TGFBR2 P37173 1/20 0.43
ABL2 P42684 1/20 0.43
CSNK1A1 P48729 1/20 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
SCHEMBL4491315 0.77 NOS1 (0.46) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL4481158 0.74 HTR1B (0.48) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL4535219 0.74 IDO1 (0.49) HSD17B10DYRK1ANFATC1GSK3B
SCHEMBL12592189 0.73 TGFBR1 (0.53) AURKATTKAURKBINCENPKDM4E
SCHEMBL29699887 0.73 CYP1A2 (0.60) KDM4ENPC1ALDH1A1HPGDMAPK1
SCHEMBL27917128 0.73 CYP1A2 (0.60) KDM4ENPC1ALDH1A1HPGDMAPK1
SCHEMBL1227713 0.73 CYP1A2 (0.60) KDM4ENPC1ALDH1A1HPGDMAPK1
SCHEMBL12676859 0.72 NPC1 (0.47) AURKATTKAURKBINCENPKDM4E
SCHEMBL4398433 0.72 MAPT (0.62) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL30487734 0.71 CYP1A2 (0.58) KDM4ENPC1ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534273-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-08-22 EP disclosed
US-6995181-B2 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB CO. (US) 2006-02-07 US disclosed
US-20050171136-A1 Modulators of the glucocorticoid receptor and method VACCARO WAYNE (US) 2005-08-04 US disclosed
EP-1534273-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD Bristol-Myers Squibb Company (US) 2005-06-01 EP disclosed
US-20040132758-A1 Modulators of the glucocorticoid receptor and method BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
WO-2004009017-A2 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 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-20040132758-A1 Modulators of the glucocorticoid receptor and method NR3C1, NR3C2, MC2R AURKA 4815/4885TTK 3130/4885AURKB 4134/4885
US-20050171136-A1 Modulators of the glucocorticoid receptor and method NR3C1, MC2R, NR3C2 AURKA 4833/4885TTK 3724/4885AURKB 4302/4885

“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.