Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108658

SCHEMBL1108658

SCHEMBL1108658

Cc1ccc(N2CCN(C(=O)c3cccnc3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ FABP6 P51161 1/20 0.53
▸ POLB P06746 1/20 0.52

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
SCHEMBL13115595 0.87 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL1108662 0.87 CYP1A2 (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11078057 0.82 SLC6A7 (0.70) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9514848 0.81 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9763711 0.81 PKM (0.74) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9731153 0.81 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3575181 0.80 SLC6A7 (0.69) KDM4EALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL1596692 0.79 PKM (0.72) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13149233 0.79 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27723056 0.78 PANK3 (0.59) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 — — EP 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
EP-2295434-A2 Substituted 8-heteroaryl xanthines Adenosine Therapeutics, LLC (US) 2011-03-16 — — EP 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-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 3621/4885ALDH1A1 881/4885SMN1; SMN2 3605/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3621/4885ALDH1A1 881/4885SMN1; SMN2 3605/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885ALDH1A1 962/4885SMN1; SMN2 3702/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 KDM4E 3207/4885ALDH1A1 962/4885SMN1; SMN2 3702/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A KDM4E 4295/4885ALDH1A1 1539/4885SMN1; SMN2 3511/4885

“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.