SCHEMBL890084

SCHEMBL890084

Cc1ncc2[nH]c(C(C)C)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL889310 0.85 HSD17B10 (0.39) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL7618865 0.78 SMN1; SMN2 (0.50) HSD17B10KDM4EALDH1A1HPGDADORA3
SCHEMBL888691 0.77 HSD17B10 (0.36) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL12810051 0.77 HSD17B10 (0.36) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL18776144 0.76 HSD17B10 (0.35) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL3578263 0.74 METAP2 (0.44) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL10604271 0.74 ADORA3 (0.57) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL1551605 0.73 NUDT1 (0.44) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL7068568 0.73 SMN1; SMN2 (0.42) ADORA2AADORA1SMN1; SMN2
SCHEMBL1551964 0.73 PDK2 (0.36) KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 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 (3 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-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HSD17B10 581/4885KDM4E 1193/4885LMNA 2800/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HSD17B10 643/4885KDM4E 1139/4885LMNA 2791/4885
US-20110064698-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.