SCHEMBL20092018

SCHEMBL20092018

COc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PIK3CA P42336 7/20 0.35
KDM4E B2RXH2 1/20 0.35
ATR Q13535 1/20 0.34
EZH2 Q15910 1/20 0.34
PIK3CB P42338 8/20 0.34
PDE9A O76083 1/20 0.34
PIK3CD O00329 5/20 0.33
PIK3R1 P27986 5/20 0.33
TYK2 P29597 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
SCHEMBL20092947 0.88 TYK2 (0.38) TYK2
SCHEMBL20092042 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1PKMHTT
SCHEMBL20091821 0.87 TYK2 (0.37) ATRTYK2
SCHEMBL20092794 0.86 HSD17B10 (0.34) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL20092220 0.85 TYK2 (0.43) ATRTYK2
SCHEMBL20092661 0.85 LRRK2 (0.48) TYK2
SCHEMBL20091842 0.85 ACVR1 (0.36) ATRPIK3CBTYK2
SCHEMBL20091955 0.85 LRRK2 (0.46) TYK2
SCHEMBL20093292 0.85 TYK2 (0.45) ATRTYK2
SCHEMBL20092691 0.85 TYK2 (0.33) MAPTTYK2

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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885SMN1; SMN2 1145/4885NPC1 4595/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885SMN1; SMN2 1145/4885NPC1 4595/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885SMN1; SMN2 1145/4885NPC1 4595/4885

“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.