SCHEMBL20689342

SCHEMBL20689342

CNc1[nH]ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
KDM4C Q9H3R0 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HCAR3 P49019 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALPG P10696 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28995881 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TSHRNPC1RAB9AGAA
Hydrochloric Acid SCHEMBL30490108 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TSHRNPC1RAB9AGAA
SCHEMBL21948966 0.81 TSHR (0.61) SMN1; SMN2TSHRNPC1RAB9AGAA
Hydrochloric Acid SCHEMBL29669370 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TSHRNPC1RAB9AGAA
SCHEMBL9308438 0.80 TSHR (0.42) SMN1; SMN2KDM4CTSHRNPC1RAB9A
SCHEMBL10037297 0.79 TSHR (0.39) SMN1; SMN2KDM4CTSHRNPC1RAB9A
SCHEMBL10067952 0.79 NPC1 (0.40) SMN1; SMN2KDM4CTSHRNPC1RAB9A
SCHEMBL15360224 0.75 ALDH1A1 (0.62) TSHRNPC1RAB9AGAAL3MBTL1
SCHEMBL272809 0.72
SCHEMBL21948012 0.72 CDK2 (0.49) SMN1; SMN2NPC1RAB9AGAAL3MBTL1

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
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885KDM4C 493/4885TSHR 1652/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885KDM4C 493/4885TSHR 1652/4885
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885KDM4C 493/4885TSHR 1652/4885

“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.