SCHEMBL3787548

SCHEMBL3787548

CC(=O)Nc1ccncc1I

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CHUK O15111 1/20 0.43
TSHR P16473 1/20 0.41
DYRK1A Q13627 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL29870952 0.85 KDM4C (0.43) CA1CA2CA9CHUKTSHR
SCHEMBL26426466 0.85 KDM4C (0.43) CA1CA2CA9CHUKTSHR
SCHEMBL6774875 0.83 KDM4C (0.42) CA1CA2CA9ALDH1A1KDM4C
SCHEMBL10338664 0.82 KDM4C (0.47) CHUKTSHRDYRK1AALDH1A1HPGD
SCHEMBL9426430 0.81 KDM4E (0.50) CHUKALDH1A1KDM4CKMT2AMEN1
SCHEMBL8688740 0.81 MDM4 (0.45) GAAMAPT
SCHEMBL3899443 0.81 TSHR (0.48) CA1CA2CA9TSHRKDM4E
SCHEMBL4139383 0.79 ALDH1A1 (0.55) CHUKTSHRDYRK1AALDH1A1HPGD
SCHEMBL9017873 0.79 MAPT (0.52) CA1CA2CA9CHUKTSHR
SCHEMBL16305298 0.78 CA1 (0.46) CA1CA2CA9CHUKTSHR

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-12577242-B2 Pyrrolopyridine and imidazopyridine antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2026-03-17 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
EP-4110777-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven, K.U.Leuven R&D (BE) 2023-01-04 EP disclosed
CN-115175909-A Pyrrolopyridine and imidazopyridine antiviral compounds 鲁汶天主教大学 2022-10-11 CN disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 (4 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 CA1 2451/4885CA2 2411/4885CA9 1824/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CA1 2451/4885CA2 2411/4885CA9 1824/4885
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS SARS1, TPI1, TPMT CA1 3049/4885CA2 1782/4885CA9 4278/4885
US-12577242-B2 Pyrrolopyridine and imidazopyridine antiviral compounds SARS1, TPMT, ZC3HAV1 CA1 3509/4885CA2 2731/4885CA9 1813/4885

“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.