SCHEMBL13115802

SCHEMBL13115802

Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 7/20 0.74
MAPT P10636 4/20 0.70
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 3/20 0.70
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
P2RY12 Q9H244 1/20 0.69
GAA P10253 1/20 0.60
FAAH O00519 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL26502492 0.92 PANK3 (0.82) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL22601219 0.89 PANK3 (0.77) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL26502500 0.88 PANK3 (0.79) PANK3MAPTKDM4EALDH1A1LMNA
SCHEMBL26502501 0.88 PANK3 (0.75) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL26502503 0.86 PANK3 (0.73) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL19748515 0.85 PANK3 (1.00) PANK3MAPTKDM4EALDH1A1
SCHEMBL26502506 0.85 PANK3 (0.72) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL26502512 0.85 PANK3 (0.72) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL26501862 0.85 PANK3 (0.73) PANK3MAPTKDM4EALDH1A1HTT
SCHEMBL26502504 0.85 PANK3 (0.72) PANK3MAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885MAPT 1819/4885KDM4E 1116/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 PANK3 1556/4885MAPT 4665/4885KDM4E 3207/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 PANK3 1556/4885MAPT 4665/4885KDM4E 3207/4885

“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.