SCHEMBL19728636

SCHEMBL19728636

CNCc1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.42
NAMPT P43490 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ILK Q13418 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL19146883 0.86 TRPM5 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22708002 0.81 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL763958 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8209304 0.80 VHL (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL506591 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4264614 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30994823 0.78 TAAR1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30828400 0.78 TAAR1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15286656 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27174613 0.78 TAAR1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 NPC1 4014/4885RAB9A 807/4885SMN1; SMN2 3639/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 NPC1 4014/4885RAB9A 807/4885SMN1; SMN2 3639/4885

“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.