SCHEMBL231126

SCHEMBL231126

c1cnc(C2CNCCN2)nc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LTA4H P09960 1/20 0.31
CHRNA7 P36544 2/20 0.31
MEN1 O00255 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30

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 SCHEMBL6070163 0.98 PARP1 (0.35) PARP1CHRNB2CHRNA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5629042 0.98 PARP1 (0.35) PARP1CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL9271325 0.82 PARP1 (0.32) PARP1
SCHEMBL5761738 0.80
SCHEMBL8303874 0.79 BMPR1B (0.31) PARP1
SCHEMBL987383 0.77 DDB1 (0.37) PARP1KDM4EALDH1A1LTA4HKMT2A
SCHEMBL20993362 0.77 DDB1 (0.37) PARP1KDM4EALDH1A1LTA4HKMT2A
SCHEMBL20993216 0.77 DDB1 (0.37) PARP1KDM4EALDH1A1LTA4HKMT2A
SCHEMBL11129671 0.77 PARP1 (0.39) PARP1
SCHEMBL2771921 0.77 SLC6A2 (0.36) PARP1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309726-B2 Substituted piperazine compounds of formula 8 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-13 US claimed
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP claimed
EP-2150527-A2 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2010-02-10 EP claimed
CN-100586952-C Derivative of oxazolocamptothecin ester, preparation method and application UNIV CHINA PHARMA 2010-02-03 CN claimed
US-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-01-21 US claimed
WO-2008114275-A2 ANTHRANILIC ACID DERIVATIVES AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-25 WO claimed
CN-1958590-A Derivative of oxazole p-camptothecin ester, preparation method and application UNIV CHINA PHARMACY (CN) 2007-05-09 CN claimed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP claimed
CN-112358470-B Piperazine sulfonamide compound and preparation method and application thereof 安炎达医药技术(广州)有限公司 2023-01-17 CN disclosed
CN-112390787-B Deuterated piperazine amide compound and preparation method and application thereof 安炎达医药技术(广州)有限公司(CN) 2023-01-13 CN disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
CN-107793362-B Synthesis and application of phenyl pyridazinone derivative 江苏恩华药业股份有限公司 2022-04-22 CN disclosed
CN-112390787-A Deuterated piperazine amide compound and preparation method and application thereof 深圳市常明生物科技有限公司 2021-02-23 CN disclosed
CN-112358470-A Piperazine sulfonamide compound and preparation method and application thereof 深圳市常明生物科技有限公司 2021-02-12 CN disclosed
CN-1032004-A Pyrimidine derivatives and pharmaceutically acceptable salts thereof MITSUI PHARMACEUTICALS (JP) 1989-03-29 CN disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed
CN-86106226-A 20-and 21-amino steroids 1987-03-18 CN disclosed
US-4605655-A NEUROLEPTIC AGENTS; NO MOVEMENT DISORDER SIDE EFFECTS BRISTOL-MYERS COMPANY (US) 1986-08-12 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 (2 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-20100016589-A1 Novel Anthranilic Acid Derivative as Potential Anticancer Agent and a Process for the Preparation Thereof AADAC, API5, APEH PARP1 549/4885CHRNB2 4866/4885CHRNA4 4831/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR PARP1 1437/4885CHRNB2 4804/4885CHRNA4 4837/4885

“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.