SCHEMBL10147352

SCHEMBL10147352

Cc1cnc2cc(C(C)C)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
DHFR P00374 1/20 0.35
SLC2A1 P11166 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
AURKA O14965 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL890257 0.81 SCN10A (0.36) DHFRSLC2A1AURKAKDM4ELMNA
SCHEMBL25723824 0.81 LMNA (0.39) DHFRSLC2A1ALDH1A1HPGDHTT
SCHEMBL25723817 0.80 DHFR (0.34) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL12978393 0.80 DHFR (0.34) DHFRSLC2A1KDM4ELMNAHSD17B10
SCHEMBL25723822 0.80 DYRK1A (0.46) DHFRSLC2A1ALDH1A1HTTAURKA
SCHEMBL10140962 0.77 SCN10A (0.38) DHFRSLC2A1METAP2
SCHEMBL10141921 0.77 PARP1 (0.34) DHFRSLC2A1ALDH1A1
SCHEMBL25723819 0.77 CYP1A2 (0.38) CYP1A2DHFRSLC2A1ALDH1A1HPGD
SCHEMBL7922369 0.76 CYP1A2 (0.41) CYP1A2USP2ALDH1A1HPGDHTT
SCHEMBL29377586 0.76 CYP1A2 (0.41) CYP1A2USP2ALDH1A1HPGDHTT

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
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (10 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885DHFR 2089/4885SLC2A1 4099/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885DHFR 1153/4885SLC2A1 1026/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885DHFR 1153/4885SLC2A1 1026/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885DHFR 1153/4885SLC2A1 1026/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 CYP1A2 358/4885DHFR 1964/4885SLC2A1 1364/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885DHFR 1153/4885SLC2A1 1026/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885DHFR 1153/4885SLC2A1 1026/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP1A2 205/4885DHFR 1356/4885SLC2A1 1505/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP1A2 205/4885DHFR 1356/4885SLC2A1 1505/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 CYP1A2 375/4885DHFR 2044/4885SLC2A1 1401/4885

“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.