SCHEMBL741028

SCHEMBL741028

NNc1nccc(I)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22440558 0.79 KDM4E (0.39) ALDH1A1KCNH2TDP1
SCHEMBL18940676 0.78 AXL (0.36) GOT1ALDH1A1ADORA3MAPTMAOA
SCHEMBL30147779 0.78 AXL (0.36) GOT1ALDH1A1ADORA3MAPTMAOA
SCHEMBL21598402 0.75 NOS2 (0.39) GOT1ALDH1A1ADORA3MAPTMAOA
SCHEMBL21713631 0.75 NOS3 (0.34) ALDH1A1ADORA3MAPTMAOAPTGS1
SCHEMBL738011 0.75 AXL (0.34) GOT1ALDH1A1ADORA3MAPTMAOA
SCHEMBL31103860 0.75 LOXL2 (0.31) ALDH1A1ADORA3MAPTMAOAPTGS1
SCHEMBL21920610 0.75 LRRK2 (0.41) MAPTTDP1
SCHEMBL29563486 0.75 KDM4E (0.30) ALDH1A1TDP1
SCHEMBL22499429 0.75 UTS2R (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577217-B2 15-PGDH inhibitor KYORIN PHARMACEUTICAL CO., LTD. (JP) 2026-03-17 US disclosed
EP-4499630-A1 BCL-XL INHIBITORS BeiGene, Ltd. (KY) 2025-02-05 EP disclosed
US-20250034128-A1 BCL-XL INHIBITORS BEIGENE, LTD. (KY) 2025-01-30 US disclosed
CN-118974033-A Bcl-xL inhibitors 百济神州有限公司 2024-11-15 CN disclosed
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2024-07-18 US disclosed
CN-117836297-A (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer 国家化学成分收集和筛选中心 2024-04-05 CN disclosed
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
EP-4313983-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2024-02-07 EP disclosed
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 WO disclosed
US-20230082516-A1 15-PGDH INHIBITOR KYORIN PHARMACEUTICAL CO., LTD. (JP) 2023-03-16 US disclosed
EP-2430021-A1 7-ARYL-1,2,4-TRIAZOLOÝ4,3-A¨PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals Inc. (US) 2012-03-21 EP disclosed
EP-2430022-A1 1,2,3-TRIAZOLO Ý4,3-A¨PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS Janssen Pharmaceuticals, Inc. (US) 2012-03-21 EP disclosed
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130422-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130422-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 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 (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-20230082516-A1 15-PGDH INHIBITOR UGDH, HPGD, GCDH GOT1 460/4885ALDH1A1 103/4885ADORA3 3258/4885
US-12577217-B2 15-PGDH inhibitor PTGDR, ADH1A, ADRA1A GOT1 1845/4885ALDH1A1 23/4885ADORA3 87/4885
US-20250034128-A1 BCL-XL INHIBITORS BCL2, BCL2L1, BCL2L10 GOT1 1480/4885ALDH1A1 2996/4885ADORA3 4790/4885
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER PTPN1, PTPN5, PTPRJ GOT1 658/4885ALDH1A1 2676/4885ADORA3 4755/4885

“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.