SCHEMBL5951825

SCHEMBL5951825

COc1cc(N)c(N)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.78
NPC1 O15118 1/20 0.78
TAAR1 Q96RJ0 1/20 0.48
CD44 P16070 1/20 0.48
HSP90AA1 P07900 3/20 0.44
HSP90AB1 P08238 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DYRK1A Q13627 1/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CCR6 P51684 1/20 0.41
CACNA1B Q00975 1/20 0.41

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 SCHEMBL1401287 0.98 GAA (0.75) GAANPC1TAAR1CD44HSP90AA1
SCHEMBL29466462 0.88 GAA (0.83) GAANPC1TAAR1HSP90AA1HSP90AB1
SCHEMBL29601238 0.88 NPC1 (1.00) GAANPC1TAAR1HSP90AA1HSP90AB1
SCHEMBL108063 0.88 NPC1 (1.00) GAANPC1TAAR1HSP90AA1HSP90AB1
SCHEMBL92047 0.88 GAA (1.00) GAANPC1TAAR1HSP90AA1HSP90AB1
SCHEMBL9116148 0.88 NPC1 (0.83) GAANPC1TAAR1CD44HSP90AA1
SCHEMBL92067 0.88 GAA (0.83) GAANPC1TAAR1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL5011472 0.86 GAA (0.79) GAANPC1TAAR1HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL3276689 0.86 NPC1 (0.95) GAANPC1TAAR1HSP90AA1HSP90AB1
SCHEMBL16200090 0.84 GAA (0.69) GAANPC1TAAR1CD44HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 WO disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
CN-106414448-B It can be used as the new compound of S100- inhibitor 活跃生物技术有限公司 2019-04-19 CN disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 EP disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
US-4008225-A Process for the manufacture of bis-azomethine metal complex colorants CIBA-GEIGY CORPORATION (US) 1977-02-15 US disclosed
US-3963708-A Bis-azomethine metal complex colorants from hydroxycoumarin derivatives or hydroxychromone derivatives CIBA-GEIGY CORPORATION (US) 1976-06-15 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 (5 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 GAA 264/4885NPC1 3302/4885TAAR1 4742/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GAA 352/4885NPC1 2551/4885TAAR1 4354/4885
US-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 GAA 1302/4885NPC1 701/4885TAAR1 4681/4885
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 GAA 3652/4885NPC1 467/4885TAAR1 257/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 GAA 1302/4885NPC1 701/4885TAAR1 4681/4885

“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.