SCHEMBL3963577

SCHEMBL3963577

Nc1ncc2[nH]c(Cl)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.40
DPP4 P27487 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
MAP3K14 Q99558 4/20 0.33
KDM4E B2RXH2 1/20 0.33
DHFR P00374 2/20 0.32
BCL6 P41182 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL31561546 0.79 ALDH1A1 (0.53) ALDH1A1RXFP1KDM4E
SCHEMBL237122 0.79 ALDH1A1 (0.53) ALDH1A1RXFP1KDM4E
SCHEMBL539008 0.79 KDM4E (0.53) KDM4ETYRO3DYRK1B
SCHEMBL15718880 0.76 KDM4E (0.37) KDM4ETYRO3DYRK1B
SCHEMBL1551964 0.76 PDK2 (0.36) ALDH1A1KDM4ETYRO3DYRK1B
SCHEMBL5034214 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1MAPKAPK2
SCHEMBL2934833 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1FGFR1MAP3K14MAPKAPK2
SCHEMBL8447336 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1FGFR1MAP3K14KDM4E
SCHEMBL27657809 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1FGFR1SRCDHFR
SCHEMBL28016408 0.76 ALDH1A1 (0.50) ALDH1A1RXFP1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106749255-A A kind of preparation method of antiviral medicinal entecavir intermediate 青岛辰达生物科技有限公司 2017-05-31 CN claimed
CN-1544434-A 6-benzylaminopurine production process 宝应县润扬化工有限公司 2004-11-10 CN claimed
US-6093819-A Preparation of penciclovir or famciclovir SMITHKLINE BEECHAM PLC (GB) 2000-07-25 US claimed
JP-10218880-A None JP disclosed
JP-6116266-A None JP disclosed
JP-9188681-A None JP disclosed
EP-4658280-A2 SIX MEMBERED RING CONTAINING OLIGOMERS Alnylam Pharmaceuticals, Inc. (US) 2025-12-10 EP disclosed
US-12173023-B2 Crosslinked nucleoside intermediate crystal and method for producing same, and method for producing crosslinked nucleoside amidite YAMASA CORPORATION (JP) 2024-12-24 US disclosed
CN-113924308-B Crystal of crosslinked nucleoside intermediate, process for producing the same, and process for producing crosslinked nucleoside phosphoramidite 雅玛山酱油株式会社 2024-09-13 CN disclosed
WO-2024163762-A2 SIX MEMBERED RING CONTAINING OLIGOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2024-08-08 WO disclosed
US-20220315617-A1 Crosslinked Nucleoside Intermediate Crystal And Method For Producing Same, And Method For Producing Crosslinked Nucleoside Amidite YAMASA CORPORATION (JP) 2022-10-06 US disclosed
US-20010010915-A1 Methods and compositions pertaining to PD-Loops TRUSTEES OF BOSTON UNIVERSITY 2001-08-02 US disclosed
US-6184376-B1 POTENT ANTIVIRALS, ESPECIALLY AGAINST HERPES INFECTIONS, SUCH AS THOSE CAUSED BY VARICELLA ZOSTER VIRUS, HERPES SIMPLEX, EPSTEIN-BARR VIRUS, HERPES TYPE 6 (HHV-6) AND TYPE 8 (HHV-8). SHINGLES IN THE ELDERLY OR CHICKEN POX IN THE YOUNG MEDIVER AB (SE) 2001-02-06 US disclosed
WO-2000008025-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-02-17 WO disclosed
US-5917042-A Process for the preparation of 2,5-diamino-4,6-dichloropyrimidine GLAXO WELLCOME INC. (US) 1999-06-29 US disclosed
JP-H10218880-A PRODUCTION 2-AMINOPURINE DERIVATIVE SUMIKA FINE CHEM KK 1998-08-18 JP disclosed
JP-H09188681-A 2-AMINO-6-CHLOROPURINE AND ITS PRODUCTION SUMIKA FINE CHEM KK 1997-07-22 JP disclosed
EP-0701562-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
WO-1994022882-A1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO disclosed
JP-H06116266-A PRODUCTION OF 2-AMINO-6-ALKOXYPURINE NIPPON KAYAKU CO LTD 1994-04-26 JP 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-20220315617-A1 Crosslinked Nucleoside Intermediate Crystal And Method For Producing Same, And Method For Producing Crosslinked Nucleoside Amidite PNP, ATIC, UMPS ALDH1A1 1352/4885RXFP1 2225/4885DPP4 2743/4885
US-12173023-B2 Crosslinked nucleoside intermediate crystal and method for producing same, and method for producing crosslinked nucleoside amidite PNP, ATIC, UMPS ALDH1A1 1352/4885RXFP1 2225/4885DPP4 2743/4885

“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.