Sugi Predict

Sugi Predict / Compounds / SCHEMBL4417668

SCHEMBL4417668

SCHEMBL4417668

Pc1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.54
▸ GPR84 Q9NQS5 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ IMPDH2 P12268 3/20 0.48
▸ CYP2A6 P11509 2/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ MPO P05164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR7 P34969 1/20 0.45

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
Hydrochloric Acid SCHEMBL27942002 0.98 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL1202543 0.74 IMPDH2 (0.63) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL2012509 0.72 ATM (0.56) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL2953261 0.72 ATM (0.56) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL275615 0.70 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL7495041 0.70 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL399039 0.70 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL13948935 0.70 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL154499 0.70 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL9775725 0.70 ATM (0.60) ATMGPR84MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107445991-A A kind of Phosphine ligands of indoles skeleton and its preparation method and application 香港理工大学深圳研究院 2017-12-08 — — CN claimed
CN-105152827-A Cross coupling reaction of arenesulphonate substrate and organic titanium SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-12-16 — — CN claimed
CN-104945434-A (2-disubstituted phosphino-phenyl)-1-alkyl-indol-phosphine ligand and synthetic method and application thereof SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-09-30 — — CN claimed
CN-118271364-A 3, 5-Dialkyl-4- (disubstituted phosphino) -1-alkyl-1H-pyrazole and preparation method and application thereof 香港理工大学深圳研究院 2024-07-02 — — CN disclosed
CN-110117237-B Preparation method of aromatic nitrile or alkenyl nitrile compound 中国科学院上海有机化学研究所 2024-02-02 — — CN disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 — — US disclosed
CN-113402553-B Phosphine ligand of 2-alkyl-indole skeleton, preparation method and application thereof 香港理工大学深圳研究院 2023-06-16 — — CN disclosed
CN-112824422-B Chiral ferrocene-indole diphosphine ligand as well as preparation method and application thereof 中国科学院大连化学物理研究所（CN） 2023-01-13 — — CN disclosed
CN-113402553-A 2-alkyl-indole skeleton phosphine ligand and preparation method and application thereof 香港理工大学深圳研究院 2021-09-17 — — CN disclosed
CN-107445989-B Phosphine ligand with indole skeleton and preparation method and application thereof 香港理工大学深圳研究院 2020-05-29 — — CN disclosed
EP-3263133-B1 PYRIDINONE COMPOUND AND USE THEREOF UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-01 — — EP disclosed
CN-105152827-A Cross coupling reaction of arenesulphonate substrate and organic titanium SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-12-16 — — CN disclosed
CN-105152827-A Cross coupling reaction of arenesulphonate substrate and organic titanium SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-12-16 — — CN disclosed
CN-104945434-A (2-disubstituted phosphino-phenyl)-1-alkyl-indol-phosphine ligand and synthetic method and application thereof SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-09-30 — — CN disclosed
CN-104327106-A Preparation method of high-sterically-hindered arylborate compound SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-02-04 — — CN disclosed
WO-2013045516-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-04-04 — — WO disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 — — US disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 — — US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 — — US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 — — 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 (2 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-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ATM 4470/4885GPR84 655/4885MEN1 1517/4885
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 ATM 3100/4885GPR84 2678/4885MEN1 1961/4885

“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.