SCHEMBL20697279

SCHEMBL20697279

O=c1c([N+](=O)[O-])cccn1C1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TYK2 P29597 4/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSB P07858 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL15803824 0.82 RECQL (0.42) MAPTCYP1A2CYP2C9RECQLKMT2A
SCHEMBL16794682 0.81 ALDH1A1 (0.43) MAPTCYP1A2CYP2C9RECQLKMT2A
SCHEMBL20689379 0.78 TYK2 (0.41) TYK2
SCHEMBL16812514 0.78 TYK2 (0.41) TYK2
SCHEMBL20688516 0.78 TYK2 (0.41) TYK2
SCHEMBL21258643 0.76 KMT2A (0.41) MAPTPKMCYP1A2CYP2C9RECQL
SCHEMBL21227519 0.74 TYK2 (0.52) TYK2
SCHEMBL20687701 0.74 TYK2 (0.52) TYK2
SCHEMBL20688037 0.74 TYK2 (0.52) TYK2
SCHEMBL21659050 0.74 TYK2 (0.39) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (10 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MAPT 1236/4885PKM 1134/4885CYP1A2 3935/4885

“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.