SCHEMBL109082

SCHEMBL109082

O=C(c1ccc(I)cc1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.69
HPGD P15428 6/20 0.65
AKR1C3 P42330 2/20 0.61
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58
DNMT1 P26358 1/20 0.58
PTPN7 P35236 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.58
MLYCD O95822 1/20 0.58
EPHX2 P34913 1/20 0.55

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
SCHEMBL1448138 0.93 PHGDH (0.61) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL10720943 0.90 PHGDH (0.81) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL28296651 0.85 HPGD (0.86) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL4696938 0.83 HPGD (0.72) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL2199279 0.83 PHGDH (0.71) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL1424454 0.82 HPGD (0.76) HPGDTSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL1424016 0.82 HPGD (0.69) HPGDTSHRL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL28607446 0.82 PHGDH (0.71) PHGDHHPGDAKR1C3L3MBTL1ALDH1A1
SCHEMBL2999369 0.81 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRL3MBTL1
SCHEMBL103440 0.81 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392415-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2024-07-03 EP disclosed
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2024-05-14 US disclosed
CN-114436996-B Beta-form2Process for the preparation of amino acid derivatives 华中科技大学 2024-05-10 CN disclosed
CN-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 CN disclosed
US-20230086884-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-23 US disclosed
WO-2023027518-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-02 WO disclosed
WO-2022068898-A1 PREPARATION METHOD FOR BIS-SUBSTITUTED BRIDGING ANTIBODY-DRUG CONJUGATE 迈威(上海)生物科技股份有限公司 2022-04-07 WO disclosed
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
US-20060258670-A1 New phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2006-11-16 US disclosed
WO-2006120349-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed
EP-1721897-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US disclosed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 WO disclosed
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 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-20060258670-A1 New phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 PHGDH 3739/4885HPGD 1922/4885AKR1C3 412/4885
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 PHGDH 1264/4885HPGD 2400/4885AKR1C3 4825/4885
US-20230086884-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 PHGDH 1264/4885HPGD 2400/4885AKR1C3 4825/4885
US-20050113374-A1 Benzodioxepine derivatives BBOX1, ACOX1, ACOX3 PHGDH 2286/4885HPGD 260/4885AKR1C3 68/4885

“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.