SCHEMBL18517543

SCHEMBL18517543

Cc1cc(N)nc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.53
NOS3 P29474 10/20 0.53
NOS1 P29475 9/20 0.53

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
SCHEMBL16389765 0.84 ALDH1A1 (0.36) NOS2NOS3NOS1
SCHEMBL16964842 0.78 NOS2 (0.53) NOS2NOS3NOS1
SCHEMBL9426089 0.77 KDM4E (0.36) NOS2NOS3NOS1
SCHEMBL2614502 0.77 NOS3 (0.44) NOS2NOS3NOS1
SCHEMBL25778174 0.76 L3MBTL1 (0.40) NOS3NOS1
SCHEMBL105871 0.75
SCHEMBL29745979 0.74 MBOAT4 (0.40) NOS2NOS1
SCHEMBL21355701 0.74 MBOAT4 (0.40) NOS2NOS1
SCHEMBL8687439 0.74 MEN1 (0.32) NOS2NOS3NOS1
SCHEMBL1162976 0.74 KDM4E (0.38)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed
WO-2017027345-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2017-02-16 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 (4 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 NOS2 4218/4885NOS3 4412/4885NOS1 4483/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS2 4218/4885NOS3 4412/4885NOS1 4483/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOS2 4218/4885NOS3 4412/4885NOS1 4483/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOS2 4218/4885NOS3 4412/4885NOS1 4483/4885

“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.