SCHEMBL20150104

SCHEMBL20150104

COc1c(-c2ccccn2)cccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 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
SCHEMBL20172587 0.85 SMN1; SMN2 (0.52) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL20150120 0.82 TSHR (0.39) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL20150112 0.82 TYK2 (0.39) ALDH1A1TYK2HSD17B10POLBALOX15
SCHEMBL20150103 0.82 CCNT1 (0.40) TYK2ALOX15MAPK1TSHRCYP3A4
SCHEMBL8227726 0.81 KDM4E (0.50) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL20150102 0.80 TYK2 (0.37) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL29986460 0.80 KDM4E (0.48) SMN1; SMN2TP53NPC1MAPTALDH1A1
Ethane SCHEMBL27829996 0.80 KDM4E (0.48) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL18367724 0.79 KDM4E (0.43) SMN1; SMN2TP53NPC1MAPTALDH1A1
SCHEMBL29496937 0.79 SMN1; SMN2 (0.66) SMN1; SMN2TP53NPC1MAPTALDH1A1

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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (4 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 SMN1; SMN2 3786/4885TP53 2842/4885NPC1 4861/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885TP53 2843/4885NPC1 4595/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885TP53 2843/4885NPC1 4595/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 SMN1; SMN2 3786/4885TP53 2842/4885NPC1 4861/4885

“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.