SCHEMBL1108651

SCHEMBL1108651

Cc1ccc(N2CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
MAPT P10636 6/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL21424864 0.87 GRIN2D (0.59) KDM4EMAPTGAARAB9AGRIN2D
SCHEMBL1108648 0.86 GRIN2D (0.53) MAPTRAB9AGRIN2DGRIN3BGRIN1
SCHEMBL21353591 0.83
SCHEMBL29857922 0.83 PLD1 (0.73) KDM4EMAPTGAARAB9AGRIN2D
SCHEMBL15800694 0.83 PLD1 (0.73) KDM4EMAPTGAARAB9AGRIN2D
SCHEMBL13102362 0.83 KMT2A (0.57) KDM4EMAPTGAARAB9AGRIN2D
SCHEMBL16994742 0.83 KDM4E (0.62) KDM4EMAPTGAARAB9AALDH1A1
SCHEMBL22495218 0.81 KDM4E (0.60) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL31504219 0.81 KDM4E (0.60) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL153568 0.80 L3MBTL1 (0.57) KDM4ERAB9AGRIN2DGRIN3BGRIN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224114-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-11-23 WO disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 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-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES PGXHEALTH, LLC (US) 2010-05-13 US disclosed
US-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES PGXHEALTH, LLC (US) 2010-05-13 US disclosed
US-7618962-B2 Pyrazolyl substituted xanthines PGX HEALTH, LLC (US) 2009-11-17 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 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
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 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 (5 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-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 KDM4E 3621/4885MAPT 4515/4885GAA 2028/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3621/4885MAPT 4515/4885GAA 2028/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885MAPT 4665/4885GAA 2187/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885MAPT 4665/4885GAA 2187/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A KDM4E 4295/4885MAPT 4850/4885GAA 1969/4885

“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.