Sugi Predict

Sugi Predict / Compounds / SCHEMBL578445

SCHEMBL578445

SCHEMBL578445

O=C(O)c1ccccc1Nc1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ AURKA O14965 3/20 0.58
▸ TAS2R14 Q9NYV8 1/20 0.56
▸ MAPK8 P45983 6/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 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
SCHEMBL18132552 0.78 SORT1 (0.73) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL18963259 0.76 RAB9A (1.00) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL30760998 0.75 NCF1 (0.71) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL10458402 0.75 NCF1 (0.71) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL30320327 0.75 FABP4 (0.80) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL355549 0.75 FABP4 (0.80) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL11770404 0.75 NPC1 (0.40) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL2492453 0.75 NPC1 (0.54) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL29603638 0.74 AURKA (0.66) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL5686015 0.74 AURKA (0.66) ALDH1A1KMT2AHPGDMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9188622-A — — None — — JP disclosed
WO-2020071550-A1 CDK8 INHIBITOR AND USE OF SAME 京都薬品工業株式会社 2020-04-09 — — WO disclosed
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 — — EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 — — US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 — — US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 — — EP disclosed
CN-104327075-A 9-amino substituted pyrido acridine derivative, preparation method and uses thereof UNIV GUANGXI CHINESE MEDICINE 2015-02-04 — — CN disclosed
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 — — EP disclosed
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 — — EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 — — US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 — — US disclosed
EP-2380878-A1 CYCLIC COMPOUND HAVING HETERO ATOM Daiichi Sankyo Company, Limited (JP) 2011-10-26 — — EP disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 — — US disclosed
US-20060173009-A1 Agent inducing increase in bone mass ASTELLAS PHARMA INC. (JP) 2006-08-03 — — US disclosed
EP-1640010-A1 AGENT INDUCING INCREASE IN BONE MASS Astellas Pharma Inc. (JP) 2006-03-29 — — EP disclosed
US-20050261297-A1 Nitrogen-containing heterocyclic compound YAMANOUCHI PHARMACEUTICAL CO., LTD 2005-11-24 — — US disclosed
US-20050096322-A1 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2005-05-05 — — US disclosed
EP-1481977-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-01 — — EP disclosed
JP-H09188622-A CURING AGENT METABOLIC OSTEOPATHIA CONTAINING N-QUINOLYLANTHRANILIC ACID DERIVATIVE AS ACTIVE COMPONENT KYORIN PHARMACEUT CO LTD 1997-07-22 — — JP disclosed
US-4007275-A ANALGESIC, ANTIINFLAMMATORY ROUSSEL-UCLAF (FR) 1977-02-08 — — 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 NPC1 1220/4885RAB9A 338/4885ALDH1A1 3358/4885
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI NPC1 307/4885RAB9A 983/4885ALDH1A1 2733/4885
US-20050096322-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 NPC1 633/4885RAB9A 1244/4885ALDH1A1 3344/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 NPC1 308/4885RAB9A 1282/4885ALDH1A1 2406/4885
US-20050261297-A1 Nitrogen-containing heterocyclic compound BMP2, BMP1, BMP4 NPC1 633/4885RAB9A 1244/4885ALDH1A1 3344/4885
US-20060173009-A1 Agent inducing increase in bone mass SOST, CALCB, BMP4 NPC1 3471/4885RAB9A 1905/4885ALDH1A1 4157/4885

“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.