SCHEMBL9975957

SCHEMBL9975957

Cn1c(-c2ccc(I)cc2)nc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9611679 0.85 MAPT (0.52) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL12970201 0.84 KDM4E (0.52) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL13052908 0.83 MAPT (0.54) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL12970523 0.81 KDM4E (0.46) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL13310868 0.80 MAPT (0.56) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL29528796 0.79 KDM4E (0.44) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL29528491 0.76 KDM4E (0.43) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL338550 0.76 ALDH1A1 (0.71) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL8208830 0.76 KDM4E (0.52) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL29528775 0.76 KDM4E (0.44) KDM4EMAPTMEN1KMT2ARAB9A

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-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO 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-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885MAPT 3645/4885MEN1 4805/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885MAPT 3645/4885MEN1 4805/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 KDM4E 3082/4885MAPT 3645/4885MEN1 4805/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KDM4E 2970/4885MAPT 3520/4885MEN1 4122/4885

“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.