SCHEMBL1663140

SCHEMBL1663140

N#Cc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.58
▸ CHEK2 O96017 10/20 0.57
▸ PRSS12 P56730 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NR4A2 P43354 1/20 0.55
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ DGAT1 O75907 1/20 0.49
▸ SOAT1 P35610 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49
▸ PARP1 P09874 1/20 0.49

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
SCHEMBL3917244 0.93 CHEK2 (0.68) RHEBCHEK2PRSS12NR4A2
SCHEMBL1663535 0.92 KDM4E (0.59) RHEBCHEK2PRSS12KDM4EALDH1A1
SCHEMBL1663145 0.90 NR4A2 (0.70) RHEBCHEK2NR4A2MMP2MMP9
SCHEMBL28930292 0.89 KDM4E (0.68) RHEBCHEK2KDM4EALDH1A1HPGD
SCHEMBL7602620 0.87 KDM4E (0.70) RHEBCHEK2KDM4EALDH1A1HPGD
SCHEMBL8770496 0.84 HPSE (0.61) RHEBCHEK2PRSS12KDM4EKMT2A
SCHEMBL20982594 0.83 NR4A2 (0.77) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL12471017 0.83 KDM4E (0.61) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL8611783 0.83 KDM4E (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL19994468 0.83 CHEK2 (0.65) RHEBCHEK2PARP1PKN1PKN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 — — US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 — — CN disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 — — US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 — — US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 — — US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 — — EP disclosed
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 — — CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 — — US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 — — CN disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 — — EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 — — WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 — — WO disclosed
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 — — US disclosed
EP-1362027-B1 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-21 — — EP disclosed
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-11 — — US disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 — — US disclosed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 — — EP disclosed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 — — US disclosed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 — — 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 (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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL RHEB 931/4885CHEK2 4422/4885PRSS12 1042/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RHEB 764/4885CHEK2 3203/4885PRSS12 3163/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RHEB 764/4885CHEK2 3203/4885PRSS12 3163/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RHEB 2247/4885CHEK2 4183/4885PRSS12 4462/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA RHEB 2247/4885CHEK2 4183/4885PRSS12 4462/4885

“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.

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