SCHEMBL4757057

SCHEMBL4757057

C=CCn1ccc2c3c(N)nc(N)nc3ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 1.00
F2R P25116 5/20 0.68
DHFR P00374 2/20 0.59

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
SCHEMBL30252213 1.00 SLC2A1 (1.00) SLC2A1F2RDHFR
SCHEMBL28678386 0.83 SLC2A1 (0.73) SLC2A1F2RDHFR
SCHEMBL24166418 0.81 F2R (1.00) SLC2A1F2RDHFR
SCHEMBL11614190 0.80 SLC2A1 (0.77) SLC2A1F2RDHFR
SCHEMBL24166728 0.80 SLC2A1 (0.67) SLC2A1F2RDHFR
SCHEMBL24165755 0.79 SLC2A1 (0.65) SLC2A1F2RDHFR
SCHEMBL11614277 0.78 SLC2A1 (1.00) SLC2A1F2RDHFR
SCHEMBL16210655 0.78 F2R (0.81) SLC2A1F2RDHFR
SCHEMBL28676490 0.78 SLC2A1 (0.64) SLC2A1F2RDHFR
SCHEMBL25074391 0.78 SLC2A1 (0.64) SLC2A1F2RDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11963959-B2 Inhibitors for coronavirus SOUTHWEST RESEARCH INSTITUTE (US) 2024-04-23 US claimed
US-20230295164-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2023-09-21 US disclosed
US-20230295164-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2023-09-21 US disclosed
US-20230242540-A1 COMPOUNDS HAVING ANTICANCER ACTIVITY THE TRUSTEES OF PRINCETON UNIVERSITY 2023-08-03 US disclosed
US-20230242540-A1 COMPOUNDS HAVING ANTICANCER ACTIVITY THE TRUSTEES OF PRINCETON UNIVERSITY 2023-08-03 US disclosed
US-20230065024-A1 INHIBITORS FOR CORONAVIRUS THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2023-03-02 US disclosed
WO-2023023469-A1 INHIBITORS FOR CORONAVIRUS SOUTHWEST RESEARCH INSTITUTE (US) 2023-02-23 WO disclosed
WO-2022006432-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2022-01-06 WO disclosed
WO-2022006447-A1 COMPOUNDS HAVING ANTICANCER ACTIVITY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2022-01-06 WO disclosed
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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 (5 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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 SLC2A1 293/4885F2R 4251/4885DHFR 531/4885
US-20230295164-A1 COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY CFTR, MRPL21, MPO SLC2A1 3013/4885F2R 3396/4885DHFR 538/4885
US-11963959-B2 Inhibitors for coronavirus ACE, ACE2, SARS1 SLC2A1 3281/4885F2R 360/4885DHFR 456/4885
US-20230242540-A1 COMPOUNDS HAVING ANTICANCER ACTIVITY TP53, KRAS, MKI67 SLC2A1 4036/4885F2R 4267/4885DHFR 183/4885
US-20230065024-A1 INHIBITORS FOR CORONAVIRUS ACE, ACE2, SARS1 SLC2A1 3281/4885F2R 360/4885DHFR 456/4885

“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.