Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108663

SCHEMBL1108663

SCHEMBL1108663

Cc1ccc(NCCN2CCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 3/20 0.54
▸ ACHE P22303 3/20 0.48
▸ FPR3 P25089 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAP3K11 Q16584 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL14924463 0.98 NMT1 (0.56) NMT1ACHEFPR3FPR2HRH3
SCHEMBL13102365 0.91 HRH3 (0.50) NMT1ACHEFPR3FPR2HRH3
SCHEMBL17450818 0.89 NMT1 (0.56) NMT1ACHEFPR3FPR2SIGMAR1
SCHEMBL7936724 0.87 CYP3A4 (0.52) NPSR1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13102352 0.85 CARM1 (0.45) NMT1ACHEFPR3FPR2HRH3
SCHEMBL16258734 0.84 NMT1 (0.42) NMT1ACHEFPR3FPR2KDM4E
SCHEMBL13763542 0.82 HRH3 (0.58) NMT1ACHEHRH3HRH4MAP3K11
SCHEMBL2320244 0.81 NMT1 (0.51) NMT1ACHEFPR3FPR2HRH3
SCHEMBL4069152 0.81 HRH3 (0.62) NMT1ACHEHRH3HRH4MAP3K11
SCHEMBL2998111 0.81 NMT1 (0.48) NMT1ACHEHRH3HRH4MAP3K11

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 35 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-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-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
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-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 — — 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 NMT1 2714/4885ACHE 2564/4885FPR3 130/4885
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 NMT1 2472/4885ACHE 3094/4885FPR3 183/4885
US-20170174687-A1 FUSED QUINOLINE COMPUNDS AS PI3K, mTOR INHIBITORS MTOR, RICTOR, PIK3CA NMT1 3046/4885ACHE 4280/4885FPR3 4368/4885
US-10730878-B2 Fused quinoline compounds as PI3K/mTOR inhibitors MTOR, RICTOR, PIK3CA NMT1 3205/4885ACHE 4642/4885FPR3 4229/4885
US-20180201613-A1 FUSED QUINOLINE COMPUNDS AS PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA NMT1 2981/4885ACHE 4326/4885FPR3 4543/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A NMT1 3071/4885ACHE 2001/4885FPR3 362/4885

“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.