SCHEMBL20155994

SCHEMBL20155994

COc1c(C)cccc1-c1ncco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.44
TUBB4A P04350 5/20 0.42
TUBB P07437 5/20 0.42
TUBA3C P0DPH7 5/20 0.42
TUBA1B P68363 5/20 0.42
TUBA4A P68366 5/20 0.42
TUBB4B P68371 5/20 0.42
TUBB3 Q13509 5/20 0.42
TUBB2A Q13885 5/20 0.42
TUBB8 Q3ZCM7 5/20 0.42
TUBA3E Q6PEY2 5/20 0.42
TUBA1A Q71U36 5/20 0.42
TUBA1C Q9BQE3 5/20 0.42
TUBB6 Q9BUF5 5/20 0.42
TUBB2B Q9BVA1 5/20 0.42
TUBB1 Q9H4B7 5/20 0.42
BRD4 O60885 1/20 0.39
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL27895629 0.84 SMN1; SMN2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24026461 0.83 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20155668 0.80 TUBB4A (0.40) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24288066 0.80 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20150113 0.80 TUBB4A (0.38) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29377827 0.80 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL9510722 0.80 BRD4 (0.43) BRD4NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL3031254 0.79 RAB9A (0.53) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9507232 0.77 BRD4 (0.41) BRD4NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL31546532 0.77 NOS3 (0.41) BRD4NPC1RAB9ASMN1; SMN2LTA4H

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-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CTSA 4108/4885TUBB4A 2425/4885TUBB 1669/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CTSA 4108/4885TUBB4A 2425/4885TUBB 1669/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CTSA 4108/4885TUBB4A 2425/4885TUBB 1669/4885
US-11174265-B2 TYK2, JAK2, JAK1 CTSA 3218/4885TUBB4A 1544/4885TUBB 844/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CTSA 4108/4885TUBB4A 2425/4885TUBB 1669/4885

“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.