SCHEMBL855198

SCHEMBL855198

Fc1cccc2[c]ccnc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 6/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MPI P34949 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
PRNP P04156 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 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
SCHEMBL20264913 0.84 KDM4E (0.39) KDM4ESMN1; SMN2MPIL3MBTL1SLC40A1
SCHEMBL4465618 0.76 HTR1A (0.40) PARP1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL8467497 0.76 METAP2 (0.48) KDM4ESMN1; SMN2MPIL3MBTL1MAPT
SCHEMBL27167448 0.76 SMN1; SMN2 (0.33) KDM4ESMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL3896844 0.76 NR4A2 (0.43) PARP1KDM4ESMN1; SMN2L3MBTL1SLC40A1
SCHEMBL849098 0.76 NCF1 (0.38) PARP1SLC40A1MEN1ALDH1A1KMT2A
SCHEMBL2409550 0.75 CCR1 (0.39) KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL2409957 0.72 CCR1 (0.37) KDM4ESMN1; SMN2L3MBTL1MAPTNPC1
SCHEMBL5749203 0.72 HTT (0.35) KDM4ESLC40A1MAPTMEN1ALDH1A1
SCHEMBL5749594 0.72 CCR1 (0.40) KDM4ESMN1; SMN2L3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
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-113473971-B Pharmaceutical formulations 詹森药业有限公司 2024-07-02 CN 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
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
EP-4199911-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN Pharmaceutica NV (BE) 2023-06-28 EP disclosed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004024698-A1 1-SULPHONYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
EP-1386923-A1 NOVEL ADENINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 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 (3 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-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL PARP1 1712/4885KDM4E 1704/4885SMN1; SMN2 2833/4885
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 PARP1 2306/4885KDM4E 906/4885SMN1; SMN2 3279/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PARP1 2539/4885KDM4E 3526/4885SMN1; SMN2 2224/4885

“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.