SCHEMBL21246070

SCHEMBL21246070

CCOC(=O)Nc1cccn(-c2ncc(OC)cc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PTGER3 P43115 4/20 0.39
MTNR1B P49286 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20689489 0.87 ELANE (0.38) NPC1RAB9AALDH1A1MAPTPTGER3
SCHEMBL20687663 0.82 GRM1 (0.41)
SCHEMBL20697218 0.80 ADORA2A (0.37) GAA
SCHEMBL20689490 0.78 GABRG2 (0.41) ALDH1A1MAPTNPSR1TSHRHPGD
SCHEMBL20689491 0.77 TYK2 (0.41) NPC1RAB9AALDH1A1NPSR1LMNA
SCHEMBL20689187 0.76 ROCK2 (0.35) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL2090279 0.70 CYP1A2 (0.58) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL16812306 0.67 NPC1 (0.48) NPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7241519 0.67 CYP1A2 (0.58) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL4826133 0.66 ALDH1A1 (0.62) NPC1RAB9AALDH1A1MAPTNPSR1

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-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 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-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NPC1 4595/4885RAB9A 3462/4885ALDH1A1 4827/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NPC1 4595/4885RAB9A 3462/4885ALDH1A1 4827/4885

“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.