SCHEMBL21291476

SCHEMBL21291476

O=C(NCc1cnc(-n2cccn2)s1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN1S2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
RIPK2 O43353 1/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MERTK Q12866 1/20 0.33
NTRK1 P04629 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33

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
SCHEMBL21291311 1.00 RAB9A (0.40) RAB9ARIPK2POLBALDH1A1MAPT
SCHEMBL21291466 0.85 RIPK2 (0.36) RAB9ARIPK2POLBALDH1A1MAPT
SCHEMBL24221826 0.85 RIPK2 (0.36) RAB9ARIPK2POLBALDH1A1MAPT
SCHEMBL24221915 0.85 RIPK2 (0.36) RAB9ARIPK2POLBALDH1A1MAPT
SCHEMBL19984549 0.83 RIPK2 (0.36) RAB9ARIPK2ALDH1A1LMNAHPGD
SCHEMBL21291436 0.83 RIPK2 (0.36) RAB9ARIPK2POLBALDH1A1MAPT
SCHEMBL21291438 0.77 KMT2A (0.45) RAB9ARIPK2POLBMAPTTDP1
SCHEMBL19984572 0.76 EGLN1 (0.39) RAB9APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL19984760 0.76 EGLN1 (0.39) RAB9APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL19984573 0.76 EGLN1 (0.39) RAB9APOLBALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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 (2 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS RAB9A 1059/4885RIPK2 995/4885POLB 1770/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RAB9A 1059/4885RIPK2 995/4885POLB 1770/4885

“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.