SCHEMBL16077771

SCHEMBL16077771

CSc1nc2ccccc2nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 6/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 7/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NQO2 P16083 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL13854079 0.85 MAPT (0.53) TDP1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL21591663 0.78 TDP1 (0.35) TDP1KDM4EPKML3MBTL1MAPT
SCHEMBL11604294 0.78 TDP1 (0.39) TDP1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL19001515 0.77 ALDH1A1 (0.49) KDM4EL3MBTL1MAPTKMT2AMEN1
SCHEMBL28861804 0.77 TDP1 (0.61) TDP1KDM4EPKML3MBTL1MAPT
SCHEMBL116696 0.77 TDP1 (1.00) TDP1KDM4EPKML3MBTL1MAPT
SCHEMBL29451077 0.77 TDP1 (1.00) TDP1KDM4EPKML3MBTL1MAPT
SCHEMBL16077788 0.77 KDM4E (0.46) TDP1KDM4EMAPTKMT2AMEN1
SCHEMBL25866400 0.76 CYP1A2 (0.42) TDP1KDM4EL3MBTL1MAPTKMT2A
SCHEMBL20338458 0.75 CYP1A2 (0.47) TDP1KDM4EL3MBTL1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970335-B1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-05-08 EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 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 (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-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TDP1 4537/4885KDM4E 2585/4885PKM 3278/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC TDP1 4537/4885KDM4E 2585/4885PKM 3278/4885

“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.