Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108648

SCHEMBL1108648

SCHEMBL1108648

Cc1ccc(N2CCN(c3ncccn3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SLC6A7 Q99884 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ DHFR P00374 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DRD2 P14416 2/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ DRD5 P21918 2/20 0.46

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) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1108651 0.86 KDM4E (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL153568 0.80 L3MBTL1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL806544 0.80 CNR2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31415358 0.80 CNR2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11988476 0.80 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13102362 0.79 KMT2A (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2490963 0.79 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13757421 0.79 KMT2A (0.55) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL18936914 0.79 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 GRIN2D 1153/4885GRIN3B 460/4885GRIN1 1118/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 GRIN2D 1153/4885GRIN3B 460/4885GRIN1 1118/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 GRIN2D 969/4885GRIN3B 582/4885GRIN1 1433/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 GRIN2D 969/4885GRIN3B 582/4885GRIN1 1433/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A GRIN2D 2991/4885GRIN3B 1921/4885GRIN1 2728/4885

“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.