SCHEMBL3150403

SCHEMBL3150403

CC(=O)Oc1ccc2ncc(Br)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
GLA P06280 2/20 0.67
F2 P00734 1/20 0.67
HPGD P15428 1/20 0.67
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
NCEH1 Q6PIU2 1/20 0.44
CA2 P00918 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
FLT3 P36888 1/20 0.42
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL21988640 0.88 ALDH1A1 (0.71) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL27932593 0.84 KMT2A (0.49) ALDH1A1GLAF2HPGDNCEH1
SCHEMBL7590790 0.83 ALDH1A1 (0.68) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL3614403 0.83 ALDH1A1 (0.50) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL28814899 0.82 ALDH1A1 (0.67) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL23247889 0.81 PDE3B (0.46) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL7594210 0.81 ALDH1A1 (0.62) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL23247805 0.79 ALDH1A1 (0.63) ALDH1A1GLAF2HPGDPDE3B
SCHEMBL25724501 0.79 ALDH1A1 (0.43) ALDH1A1GLAF2HPGDNCEH1
SCHEMBL621672 0.79 PDGFRB (0.58) ALDH1A1GLAF2HPGDLMNA

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577258-B2 Macrocyclic compound VERNALIS (R&D) LIMITED (GB) 2026-03-17 US disclosed
EP-4223368-B1 MACROCYCLIC COMPOUNDS INCORPORATING PIPERIDINE AND QUINOLINE OR QUNAXOLINE AS IRAK-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS ASAHI KASEI PHARMA CORP (JP) 2025-05-21 EP disclosed
CN-116348472-B Macrocyclic compounds 旭化成制药株式会社 2024-12-03 CN disclosed
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
WO-2013038362-A1 6 - SUBSTITUTED 3 - (QUINOLIN- 6 - YLTHIO) - [1,2,4] TRIAZOLO [4, 3 -A] PYRADINES AS TYROSINE KINASE NOVARTIS AG (CH) 2013-03-21 WO disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
WO-2012107500-A1 [1, 2, 4] TRIAZOLO [4, 3 -B] PYRIDAZINE COMPOUNDS AS INHIBITORS OF THE C-MET TYROSINE KINASE NOVARTIS AG (CH) 2012-08-16 WO disclosed
CN-102574853-A Heterocyclic oxime compounds NOVARTIS AG 2012-07-11 CN disclosed
EP-2162132-A1 HETEROCYCLIC KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
WO-2008144767-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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 (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-12577258-B2 Macrocyclic compound IRAK1, IRAK4, IRAK2 ALDH1A1 2947/4885GLA 3442/4885F2 4852/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 ALDH1A1 3284/4885GLA 2140/4885F2 4784/4885
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 ALDH1A1 4524/4885GLA 4018/4885F2 4698/4885
US-20230357271-A1 MACROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 ALDH1A1 3370/4885GLA 3309/4885F2 4752/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB ALDH1A1 4730/4885GLA 4529/4885F2 4741/4885

“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.