SCHEMBL20150182

SCHEMBL20150182

CSc1cc(-c2cc(C)n(C)n2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LMNA P02545 3/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL20156152 0.81 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3343397 0.78 CYP3A4 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20092231 0.78 KEAP1 (0.54) AAK1MAPTKMT2AKEAP1
SCHEMBL3342123 0.78 RAB9A (0.42) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20092476 0.76 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL14996562 0.76 ADORA3 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20092458 0.75 CYP2E1 (0.44) AAK1MAPTCYP2C19CYP2C9APP
SCHEMBL11528651 0.74 AAK1 (0.50) AAK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23154025 0.74 GAA (0.33) NPC1RAB9AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL20092249 0.74 TYK2 (0.43) MAPTL3MBTL1

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-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

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 AAK1 146/4885NPC1 4595/4885RAB9A 3462/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885NPC1 4595/4885RAB9A 3462/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885NPC1 4595/4885RAB9A 3462/4885

“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.