SCHEMBL21760765

SCHEMBL21760765

Cc1cn2nc(C(C)C)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 4/20 0.41
F2RL3 Q96RI0 9/20 0.40
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12566087 0.83 L3MBTL1 (0.41) L3MBTL1TP53MAPTF2RL3NPC1
SCHEMBL15605672 0.75 TP53 (0.58) TP53MAPTF2RL3NPC1RAB9A
SCHEMBL23641542 0.74 L3MBTL1 (0.39) L3MBTL1F2RL3SMN1; SMN2
SCHEMBL452295 0.74 F2RL3 (0.46) TP53F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL8686099 0.73 F2RL3 (0.40) TP53F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL12714463 0.73 F2RL3 (0.63) TP53MAPTF2RL3NPC1RAB9A
SCHEMBL21761041 0.70 F2RL3 (0.39) TP53F2RL3NPC1RAB9ASMN1; SMN2
SCHEMBL12616125 0.68 L3MBTL1 (0.44) L3MBTL1TP53MAPTNPC1RAB9A
SCHEMBL13996095 0.68 TP53 (0.50) TP53MAPTF2RL3NPC1RAB9A
SCHEMBL21760588 0.67 F2RL3 (0.36) F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 L3MBTL1 4016/4885TP53 1088/4885MAPT 4191/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 L3MBTL1 4016/4885TP53 1088/4885MAPT 4191/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 L3MBTL1 3088/4885TP53 2238/4885MAPT 4276/4885

“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.