Sugi Predict

Sugi Predict / Compounds / SCHEMBL827800

SCHEMBL827800

SCHEMBL827800

COCCNc1ccc(C)cn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.60
▸ PDE5A O76074 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ FYN P06241 3/20 0.43
▸ MKNK1 Q9BUB5 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL29157004 0.87 HCAR3 (0.55) HCAR3PDE5AALDH1A1KDM4ECYP1A2
SCHEMBL6645913 0.85 MAPT (0.53) HCAR3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL24896377 0.81 HCAR3 (0.59) HCAR3ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL182806 0.81 HCAR3 (0.59) HCAR3ALDH1A1KDM4EMAPTHIF1A
SCHEMBL2791509 0.81 HCAR3 (0.59) HCAR3PDE5AALDH1A1KDM4ECYP1A2
SCHEMBL31588400 0.81 HCAR3 (0.59) HCAR3PDE5AALDH1A1KDM4ECYP1A2
SCHEMBL12832041 0.80 HCAR3 (0.44) HCAR3PDE5AALDH1A1KDM4EMAPT
SCHEMBL10293613 0.79 HCAR3 (0.57) HCAR3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL14416656 0.79 HCAR3 (0.57) HCAR3PDE5AALDH1A1KDM4ECYP1A2
SCHEMBL22404254 0.78 HCAR3 (0.56) HCAR3PDE5AALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730878-B2 Fused quinoline compounds as PI3K/mTOR inhibitors Advenchen Pharmaceuticals, LLC (US) 2020-08-04 — — US disclosed
EP-3319602-B1 FUSED QUINOLINE COMPOUNDS AS PI3K/MTOR INHIBITORS ADVENCHEN PHARMACEUTICALS LLC (US) 2020-02-05 — — EP disclosed
EP-3169687-B1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2019-01-02 — — EP disclosed
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2018-07-19 — — US disclosed
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS ADVENCHEN PHARMACEUTICALS NANJING LTD (CN) 2017-06-22 — — US disclosed
WO-2017011363-A1 FUSED QUINOLINE COMPUNDS AS PI3K/MTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2017-01-19 — — WO disclosed
WO-2016010869-A2 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS Advenchen Pharmaceuticals, LLC (US) 2016-01-21 — — WO 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
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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — 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
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 (7 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 HCAR3 93/4885PDE5A 207/4885ALDH1A1 881/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 HCAR3 93/4885PDE5A 207/4885ALDH1A1 881/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 HCAR3 82/4885PDE5A 528/4885ALDH1A1 962/4885
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS MTOR, RICTOR, PIK3CA HCAR3 4186/4885PDE5A 3691/4885ALDH1A1 4193/4885
US-10730878-B2 Fused quinoline compounds as PI3K/mTOR inhibitors MTOR, RICTOR, PIK3CA HCAR3 3822/4885PDE5A 3144/4885ALDH1A1 4322/4885
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA HCAR3 4135/4885PDE5A 4126/4885ALDH1A1 4246/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 HCAR3 87/4885PDE5A 333/4885ALDH1A1 1480/4885

“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.