SCHEMBL874078

SCHEMBL874078

Cc1ccc2nn[nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
TYMS P04818 1/20 0.43
ELANE P08246 3/20 0.42
CHEK1 O14757 2/20 0.42
PIM1 P11309 1/20 0.42

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
SCHEMBL13820080 0.86 PARP1 (0.45) PARP1CHEK1PIM1RPS6KA3LMNA
SCHEMBL874742 0.85 PARP1 (0.54) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL874689 0.78 PARP1 (0.54) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1841772 0.78 PARP1 (0.54) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3262503 0.78 PIM1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL874998 0.77 KDM4E (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9483856 0.75 IP6K1 (0.38) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17150325 0.74 PARP1 (0.46) PARP1KDM4EMAPT
SCHEMBL19153064 0.73 PARP1 (0.34) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL3757350 0.73 PARP1 (0.59) PARP1ALDH1A1MAPTTDP1

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
US-20170114049-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170114049-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170114049-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 US disclosed
US-20170022171-A1 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
US-20170022171-A1 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed
WO-2015150350-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS FOR THE TREATMENT OF RESPIRATOY TRACT DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
WO-2015150363-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
WO-2015150366-A1 CYCLICALLY SUBSTITUTED PHENOL ETHER DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
US-8846910-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-09-30 US disclosed
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2010-04-01 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed
US-5234925-A Anticarcinogenic agent DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-10 US disclosed
WO-1993004051-A1 2-AZA-2-DESAMINO ANALOGUES OF 5,8-DIDEAZAFOLIC ACID DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-03-04 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 (4 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-20170114049-A1 2,5-DISUBSTITUTED CYCLOPENTANE CARBOXYLIC ACIDS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES CA5A, PC, CA5B PARP1 2898/4885TUBB4A 1777/4885TUBB 1367/4885
US-20170022171-A1 2,5-DISUBSTITUTED CYCLOPENTANECARBOXYLIC ACIDS AND THEIR USE PC, PYCR1, PCCA PARP1 1624/4885TUBB4A 2621/4885TUBB 2395/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 PARP1 1162/4885TUBB4A 2906/4885TUBB 2454/4885
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 PARP1 400/4885TUBB4A 1065/4885TUBB 1509/4885

“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.