SCHEMBL12775201

SCHEMBL12775201

Cc1nc(N)c2nc(C(C)C)cnc2n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
ADORA1 P30542 3/20 0.36
DHFR P00374 2/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
PIK3CG P48736 2/20 0.33
ADORA2A P29274 3/20 0.32
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL25899104 0.84 ADORA2A (0.48) DHFRNOS1PIK3CGADORA2A
SCHEMBL25899163 0.79 HSD17B10 (0.34) HSD17B10
SCHEMBL12843982 0.78 ADORA1 (0.40) ADORA1NOS1PIK3CGADORA2ALMNA
SCHEMBL22743962 0.77 PIK3CG (0.43) HSD17B10ADORA1PIK3CGADORA2AADORA3
SCHEMBL12775538 0.72 ADORA1 (0.36) ADORA1NOS1PIK3CGADORA2ALMNA
SCHEMBL12844585 0.72 NOS1 (0.46) NOS1
SCHEMBL22744480 0.71 ADORA1 (0.41) ADORA1DHFRNOS1NOS3NOS2
SCHEMBL25899100 0.71 HSD17B10 (0.39) HSD17B10ADORA1DHFRNOS1PIK3CG
SCHEMBL22201170 0.71 ADORA2A (0.46) DHFRNOS1PIK3CGADORA2A
Bromide SCHEMBL7166632 0.70 ADORA2A (0.44) DHFRNOS1PIK3CGADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB HSD17B10 1234/4885ADORA1 4711/4885DHFR 2057/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HSD17B10 419/4885ADORA1 283/4885DHFR 256/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HSD17B10 173/4885ADORA1 2120/4885DHFR 86/4885

“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.