SCHEMBL4152400

SCHEMBL4152400

CNc1cc(Br)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.54
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
APEX1 P27695 1/20 0.46
GRIK1 P39086 3/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MYC P01106 1/20 0.45
NR4A1 P22736 1/20 0.45
SORT1 Q99523 2/20 0.44
DHODH Q02127 1/20 0.44
METAP2 P50579 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28026431 0.85 ALDH1A1 (0.44) ACLYAKR1C3AKR1C2MEN1KMT2A
SCHEMBL1323012 0.85 APEX1 (0.58) AKR1C3AKR1C2KDM4CKDM4EGLA
SCHEMBL9942872 0.82 ACLY (0.55) ACLYAKR1C3AKR1C2KDM4EGLA
SCHEMBL21777655 0.81 KDM4E (0.58) KDM4EGLAPOLBMEN1KMT2A
SCHEMBL3915465 0.81 ALDH1A1 (0.61) ACLYAKR1C3AKR1C2KDM4EGLA
SCHEMBL7992611 0.81 DHODH (0.49) AKR1C3AKR1C2KDM4EGLAAPEX1
SCHEMBL16632333 0.81 ACLY (0.54) ACLYAKR1C3AKR1C2KDM4EGLA
SCHEMBL20563146 0.80 APEX1 (0.50) ACLYAKR1C3AKR1C2KDM4EGLA
SCHEMBL29144725 0.80 ALDH1A1 (0.59) ACLYAKR1C3AKR1C2KDM4EGLA
SCHEMBL4583836 0.80 ACLY (0.54) ACLYAKR1C3AKR1C2KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US claimed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP claimed
EP-1756095-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME Wyeth (US) 2007-02-28 EP claimed
WO-2005105739-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2005-11-10 WO claimed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US claimed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
US-11040978-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-06-22 US disclosed
US-20190315755-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2019-10-17 US disclosed
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-11 US disclosed
CN-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed
US-10280168-B2 Bicyclic heteroaryl derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-05-07 US disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 EP disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
WO-2006048727-A1 PIPERAZINYLPHENALKYL LACTAM/AMINE LIGANDS FOR THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2006-05-11 WO 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-10280168-B2 Bicyclic heteroaryl derivatives as MNK1 and MNK2 modulators and uses thereof MAPKAPK2, NEK2, MKNK2 ACLY 3663/4885AKR1C3 3961/4885AKR1C2 3025/4885
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH ACLY 271/4885AKR1C3 431/4885AKR1C2 925/4885
US-20190315755-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 ACLY 3778/4885AKR1C3 3877/4885AKR1C2 3441/4885
US-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 ACLY 3720/4885AKR1C3 4002/4885AKR1C2 3049/4885
US-11040978-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof MKNK2, MKNK1, MAPKAPK2 ACLY 2889/4885AKR1C3 2644/4885AKR1C2 2489/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 ACLY 3081/4885AKR1C3 1500/4885AKR1C2 1464/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 ACLY 2852/4885AKR1C3 1662/4885AKR1C2 1574/4885

“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.