SCHEMBL6832027

SCHEMBL6832027

C#C[C@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
PNP P00491 2/20 0.44
TK1 P04183 2/20 0.43
BLM P54132 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL2057237 1.00 ADORA3 (0.45) ADORA3PNPTK1BLMUSP2
SCHEMBL16368459 0.92 ADORA3 (0.43) ADORA3PNPTK1BLMUSP2
SCHEMBL23171074 0.85 ADORA3 (0.42) ADORA3PNPTK1BLMUSP2
SCHEMBL29479236 0.85 ADORA3 (0.47) ADORA3PNPTK1BLMUSP2
SCHEMBL9116042 0.84 ADORA3 (0.43) ADORA3PNPTK1BLMUSP2
SCHEMBL3514475 0.84 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL28899787 0.83 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL3970963 0.83 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL28384881 0.83 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2
SCHEMBL13756819 0.83 ADORA3 (0.48) ADORA3PNPTK1BLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives MCCARTHY JAMES R (US) 2003-06-12 US disclosed
US-5977325-A NUCLEOSIDE DERIVATIVES USEFUL AS ANTICARCINOGENIC/ANTITUMOR AGENTS AND VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
US-5792841-A ANTIVIRAL, ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-08-11 US disclosed
US-5616702-A ANTITUMOR AGENTS, VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1997-04-01 US disclosed
US-5607925-A Treatment of carcinoma by administration of 2'-halomethylidenyl-2'-deoxynucleosides MERRELL PHARMACEUTICALS INC. (US) 1997-03-04 US disclosed
US-5378693-A Antitumor agents or viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1995-01-03 US disclosed
EP-0372268-B1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMA (US) 1994-05-04 EP disclosed
CN-1022248-C Novel 2'-halomethylidene, uridine and guanosine drivatives MERRELL DOW PHARMA (US) 1993-09-29 CN disclosed
EP-0372268-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-13 EP disclosed
CN-1042715-A New 2 '-halogenated methylene, 2 '-vinylidene and 2 '-ethynyl cytidine, uridine and black glycoside derivates MERRELL DOW PHARMA (US) 1990-06-06 CN 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-20040063659-A1 Novel 2'-halomethylidene,2'-ethenylidene and 2'-ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT14, NUDT1 ADORA3 401/4885PNP 29/4885TK1 501/4885
US-20030109484-A1 Novel 2'-halomethylidene, 2'-ethenylidene and 2'ethynyl cytidine, uridine and guanosine derivatives UMPS, NUDT1, NUDT14 ADORA3 438/4885PNP 28/4885TK1 542/4885

“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.