SCHEMBL3135845

SCHEMBL3135845

CC(C)(C)OC(=O)NCC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
DRD5 P21918 1/20 0.54
DRD3 P35462 1/20 0.54
P2RY6 Q15077 1/20 0.54
DDB1 Q16531 2/20 0.53
CRBN Q96SW2 2/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
PTPN11 Q06124 1/20 0.51
ALOX5 P09917 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
HSP90AA1 P07900 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
S1PR2 O95136 1/20 0.46
OPRK1 P41145 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 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
SCHEMBL30300872 0.90 MAPT (0.48) ADRA2ADRD5DRD3P2RY6DDB1
SCHEMBL4376003 0.86 MAPT (0.51) ADRA2ADRD5DRD3P2RY6MAPT
SCHEMBL15807639 0.85 PTPN11 (0.62) ADRA2ADRD5DRD3P2RY6DDB1
SCHEMBL18041394 0.83 ADRA2A (0.49) ADRA2ADRD5DRD3P2RY6DDB1
SCHEMBL2151056 0.82 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1HTTHSP90AA1
SCHEMBL2151062 0.82 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1HTTHSP90AA1
SCHEMBL2151070 0.81 ALDH1A1 (0.48) ADRA2ADRD5DRD3P2RY6MAPT
SCHEMBL31248780 0.81 ADRA2A (0.47) ADRA2ADRD5DRD3P2RY6DDB1
SCHEMBL31017524 0.80 DDB1 (0.59) ADRA2ADRD5DRD3P2RY6DDB1
SCHEMBL3128034 0.80 DDB1 (0.59) ADRA2ADRD5DRD3P2RY6DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 US disclosed
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
WO-2023027966-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-03-02 WO disclosed
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 ADRA2A 4716/4885DRD5 3299/4885DRD3 4729/4885
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRA2A 2153/4885DRD5 2215/4885DRD3 1647/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRA2A 2153/4885DRD5 2215/4885DRD3 1647/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRA2A 2153/4885DRD5 2215/4885DRD3 1647/4885

“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.