Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108645

SCHEMBL1108645

SCHEMBL1108645

Cc1ccc(NCc2cccnc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.65
▸ POLB P06746 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP1A2 P05177 5/20 0.53
▸ CLK4 Q9HAZ1 4/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LTA4H P09960 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ HDAC4 P56524 1/20 0.50

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
SCHEMBL1108643 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EKMT2ACYP3A4
SCHEMBL11563461 0.83 NOS2 (0.58) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL13763288 0.83 ALDH1A1 (0.60) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL18772850 0.82 ALDH1A1 (0.57) ALDH1A1POLBL3MBTL1KDM4EMEN1
SCHEMBL23938206 0.81 LTA4H (0.53) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL20731182 0.81 MEN1 (0.55) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL13757427 0.81 LMNA (0.54) ALDH1A1POLBL3MBTL1KDM4EMEN1
SCHEMBL16220824 0.80 NOS2 (0.72) ALDH1A1POLBL3MBTL1KDM4EMEN1
SCHEMBL764317 0.80 ALDH1A1 (0.62) ALDH1A1POLBL3MBTL1KDM4EMEN1
SCHEMBL13879786 0.79 CXCR4 (0.54) ALDH1A1KDM4ECLK4HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 — — US disclosed
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-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 (6 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 ALDH1A1 881/4885POLB 3167/4885L3MBTL1 4781/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 ALDH1A1 881/4885POLB 3167/4885L3MBTL1 4781/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 ALDH1A1 962/4885POLB 2836/4885L3MBTL1 4352/4885
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 ALDH1A1 2167/4885POLB 3179/4885L3MBTL1 1885/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ALDH1A1 962/4885POLB 2836/4885L3MBTL1 4352/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A ALDH1A1 1539/4885POLB 3750/4885L3MBTL1 4728/4885

“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.