SCHEMBL7437643

SCHEMBL7437643

Clc1nc(OCc2ccccc2)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.46
CYP3A4 P08684 2/20 0.46
MGMT P16455 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CDK1 P06493 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CCNB1 P14635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
CCNA1 P78396 1/20 0.46
PMP22 Q01453 1/20 0.46
CDC7 O00311 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
MPO P05164 2/20 0.43

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
SCHEMBL29661259 1.00 PIN1 (0.46) PIN1CYP3A4MGMTLMNACYP1A2
6-O-Benzylguanine SCHEMBL29405347 0.83 MGMT (0.63) PIN1CYP3A4MGMTLMNACYP1A2
SCHEMBL8959020 0.83 MGMT (0.46) PIN1CYP3A4MGMTLMNACYP1A2
SCHEMBL14998811 0.83 DYRK1A (0.48) PIN1CYP3A4MGMTLMNACYP1A2
6-O-Benzylguanine SCHEMBL600698 0.83 MGMT (0.63) PIN1CYP3A4MGMTLMNACYP1A2
6-O-Benzylguanine SCHEMBL4631743 0.82 MGMT (0.61) PIN1CYP3A4MGMTLMNACYP1A2
SCHEMBL16549303 0.79 PIN1 (0.44) PIN1LMNA
SCHEMBL20119742 0.79 SMN1; SMN2 (0.46) MGMTLMNACYP1A2TSHRHTR2A
SCHEMBL821766 0.78 CDC7 (0.60) PIN1CYP3A4MGMTLMNACYP1A2
SCHEMBL21591842 0.78 MPO (0.43) PIN1CYP3A4MGMTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US claimed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP claimed
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
US-20250195498-A1 INHIBITOR OF CELLULAR PURINE NUCLEOTIDE SALVAGE PATHWAY ENZYME FOR USE IN THE TREATMENT AND/OR PREVENTION OF HELICOBACTER PYLORI INFECTION AND/OR DISEASE ASSOCIATED WITH SUCH INFECTION AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME UNIWERSYTET WARSZAWSKI (PL) 2025-06-19 US disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
WO-2023177312-A2 INHIBITOR OF CELLULAR PURINE NUCLEOTIDE SALVAGE PATHWAY ENZYME FOR USE IN THE TREATMENT AND/OR PREVENTION OF HELICOBACTER PYLORI INFECTION AND/OR DISEASE ASSOCIATED WITH SUCH INFECTION AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME UNIWERSYTET WARSZAWSKI (PL) 2023-09-21 WO disclosed
US-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP 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 (3 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-20080108612-A1 6-(phenylmethyl)amino-1H-purine; chaperone protein inhibitor; anticarcinogenic agent HSP90B1, HSPBP1, HSP90AB2P PIN1 2550/4885CYP3A4 4040/4885MGMT 880/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 PIN1 4709/4885CYP3A4 4110/4885MGMT 3468/4885
US-20250195498-A1 INHIBITOR OF CELLULAR PURINE NUCLEOTIDE SALVAGE PATHWAY ENZYME FOR USE IN THE TREATMENT AND/OR PREVENTION OF HELICOBACTER PYLORI INFECTION AND/OR DISEASE ASSOCIATED WITH SUCH INFECTION AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PNP, ITPA, NUDT5 PIN1 816/4885CYP3A4 2586/4885MGMT 572/4885

“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.