SCHEMBL798546

SCHEMBL798546

CC(C)c1cnc2nc(C(C)C)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
BRAF P15056 1/20 0.35
PAK4 O96013 1/20 0.35
IDO1 P14902 2/20 0.34
HTT P42858 1/20 0.33
MLKL Q8NB16 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
EIF4A3 P38919 2/20 0.32

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
SCHEMBL890077 0.82 AURKA (0.47) HSD17B10KDM4ELMNAHDAC6SMN1; SMN2
SCHEMBL10141176 0.82 SMN1; SMN2 (0.59) HSD17B10HDAC6SMN1; SMN2SCN10AALDH1A1
SCHEMBL12980804 0.81 HSD17B10 (0.40) HSD17B10KDM4ELMNAHDAC6SMN1; SMN2
SCHEMBL22962270 0.81 HSD17B10 (0.40) HSD17B10KDM4ELMNAHDAC6SMN1; SMN2
SCHEMBL21499437 0.81 HSD17B10 (0.40) HSD17B10KDM4ELMNAHDAC6SMN1; SMN2
SCHEMBL23675597 0.81 HDAC6 (0.39) HSD17B10HDAC6SMN1; SMN2SCN10AHPGD
SCHEMBL12980119 0.81 HDAC6 (0.39) HSD17B10HDAC6SMN1; SMN2SCN10AHPGD
SCHEMBL10141045 0.78 SCN10A (0.40) HSD17B10KDM4ELMNASMN1; SMN2SCN10A
SCHEMBL12232009 0.78 HSD17B10 (0.38) HSD17B10KDM4ELMNAHDAC6SMN1; SMN2
SCHEMBL13122856 0.78 HTT (0.44) HSD17B10HDAC6SMN1; SMN2SCN10AALDH1A1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2022-12-22 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20110070197-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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-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-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 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 (13 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 HSD17B10 1530/4885KDM4E 2587/4885LMNA 1010/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR HSD17B10 1287/4885KDM4E 4095/4885LMNA 1249/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B10 581/4885KDM4E 1193/4885LMNA 2800/4885
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HSD17B10 643/4885KDM4E 1139/4885LMNA 2791/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B10 581/4885KDM4E 1193/4885LMNA 2800/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HSD17B10 1268/4885KDM4E 4219/4885LMNA 2015/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B10 581/4885KDM4E 1193/4885LMNA 2800/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HSD17B10 643/4885KDM4E 1139/4885LMNA 2791/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HSD17B10 643/4885KDM4E 1139/4885LMNA 2791/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HSD17B10 643/4885KDM4E 1139/4885LMNA 2791/4885

“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.