SCHEMBL615476

SCHEMBL615476

Cc1nc2ccc(N)cc2n1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.68
BRD4 O60885 1/20 0.59
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
RAB9A P51151 1/20 0.55
DHFR P00374 1/20 0.52
SPHK1 Q9NYA1 1/20 0.49
ACSS2 Q9NR19 1/20 0.49
DCTPP1 Q9H773 3/20 0.49
TLR7 Q9NYK1 2/20 0.49
RAD52 P43351 1/20 0.49
TP53 P04637 1/20 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
SCHEMBL617824 0.88 TNF (0.68) TNFBRD4KDM4EALDH1A1HPGD
SCHEMBL6170842 0.83 TNF (0.56) TNFBRD4KDM4EALDH1A1HPGD
SCHEMBL317642 0.82 DCTPP1 (0.70) TNFBRD4KDM4EALDH1A1GALR3
SCHEMBL3974904 0.82 TNF (0.77) TNFKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5863348 0.82 KDM4E (0.81) BRD4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL231295 0.81 TNF (1.00) TNFKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17380972 0.80 DCTPP1 (0.69) TNFBRD4KDM4EALDH1A1GALR3
SCHEMBL615475 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL6169195 0.79 TNF (0.62) TNFBRD4HSD17B10GALR3NR2F2
SCHEMBL19019532 0.77 TNF (0.52) TNFBRD4KDM4EALDH1A1GALR3

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
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (4 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 TNF 1599/4885BRD4 1799/4885KDM4E 2033/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 TNF 3386/4885BRD4 795/4885KDM4E 565/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 TNF 3386/4885BRD4 795/4885KDM4E 565/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 TNF 4150/4885BRD4 1215/4885KDM4E 893/4885

“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.