SCHEMBL3539759

SCHEMBL3539759

O=[N+]([O-])c1ccc(N2CCC2)cn1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.90
POLB P06746 1/20 0.74
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 4/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL29435521 0.97 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL15141576 0.97 MAPT (0.97) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2722856 0.95 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL29437410 0.95 MAPT (1.00) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL1393268 0.90 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL31073302 0.87 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL20676972 0.87 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17055347 0.87 POLB (0.89) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL5659915 0.87 MAPT (0.74) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL2726097 0.85 MAPT (0.72) MAPTPOLBRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606556-B2 TYK-2 inhibitor BEONE MEDICINES I GMBH (CH) 2026-04-21 US disclosed
CN-115003667-B TYK-2 inhibitors 百济神州有限公司 2025-04-15 CN disclosed
WO-2023213308-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 苏州隆博泰药业有限公司 2023-11-09 WO disclosed
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230159520-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
CN-115003667-A TYK-2 inhibitors 百济神州有限公司 2022-09-02 CN disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-8404848-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-03-26 US disclosed
US-20100168155-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-07-01 US disclosed
US-7704989-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-27 US disclosed
US-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-11 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-12606556-B2 TYK-2 inhibitor TYK2, TXK, JAK1 MAPT 3485/4885POLB 2084/4885RAB9A 3431/4885
US-20100168155-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS NR4A2, NR4A3, NCOR1 MAPT 4305/4885POLB 3617/4885RAB9A 3591/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885POLB 1657/4885RAB9A 3462/4885
US-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS NR4A2, NR4A3, NCOR1 MAPT 4305/4885POLB 3617/4885RAB9A 3591/4885
US-20230159520-A1 TYK-2 INHIBITOR TYK2, IRAK2, PTK2B MAPT 804/4885POLB 2307/4885RAB9A 3713/4885

“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.