SCHEMBL110557

SCHEMBL110557

CSc1ccc(Cl)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 3/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CCR2 P41597 4/20 0.42

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
SCHEMBL3783594 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL30422063 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL30811359 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL9629853 0.81 SLC6A2 (0.57) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL866005 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL3781267 0.78 SLC6A2 (0.51) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL3787206 0.78 CCR2 (0.46) ALDH1A1CYP3A4SMN1; SMN2ALOX15HPGD
SCHEMBL866006 0.77 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL18035387 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL8779862 0.76 ITGB2 (0.50) ALDH1A1CYP3A4TSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN claimed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP claimed
EP-2671575-A1 Ras inhibitors Universität Regensburg (DE) 2013-12-11 EP claimed
WO-2024121183-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-13 WO disclosed
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
WO-2022135430-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-06-30 WO disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 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 (9 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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B ALDH1A1 1702/4885CYP3A4 265/4885TSHR 375/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885CYP3A4 1039/4885TSHR 932/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885TSHR 3338/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885CYP3A4 177/4885TSHR 1688/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885CYP3A4 2823/4885TSHR 697/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885CYP3A4 1039/4885TSHR 932/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 ALDH1A1 2553/4885CYP3A4 2823/4885TSHR 697/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CYP3A4 3900/4885TSHR 3338/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP ALDH1A1 608/4885CYP3A4 3369/4885TSHR 3125/4885

“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.