SCHEMBL16552186

SCHEMBL16552186

CCOC(=O)C(C#N)c1ncc(Br)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.37
S1PR3 Q99500 8/20 0.37
S1PR1 P21453 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
MMP13 P45452 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL29749257 1.00 MEN1 (0.46) MEN1KMT2AGAASMN1; SMN2MAPK1
SCHEMBL29052481 0.82 MEN1 (0.45) MEN1KMT2AMAPK1S1PR3S1PR1
SCHEMBL30499570 0.82 MEN1 (0.54) MEN1KMT2AMAPK1S1PR3S1PR1
SCHEMBL9948150 0.82 MEN1 (0.54) MEN1KMT2AMAPK1S1PR3S1PR1
SCHEMBL19371259 0.81 KMT2A (0.64) MEN1KMT2AGAASMN1; SMN2MAPK1
SCHEMBL16540985 0.81 PLAU (0.36) GAAMAPK1S1PR3S1PR1KDM4E
SCHEMBL25295115 0.81 GAA (0.43) MEN1KMT2AGAASMN1; SMN2MAPK1
SCHEMBL30484114 0.81 GAA (0.43) MEN1KMT2AGAASMN1; SMN2MAPK1
SCHEMBL14321742 0.80 MEN1 (0.44) MEN1KMT2AMAPK1S1PR3S1PR1
SCHEMBL19371268 0.77 KMT2A (0.46) MEN1KMT2AGAASMN1; SMN2MAPK1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) 2024-05-30 US disclosed
CN-114907338-B Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2024-02-06 CN disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 EP disclosed
CN-114907338-A Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof 北京志健金瑞生物医药科技有限公司 2022-08-16 CN disclosed
WO-2022166642-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京志健金瑞生物医药科技有限公司 2022-08-11 WO disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 EP disclosed
US-20160309717-A1 Compounds with Nematicidal Activity BAYER CROPSCIENCE AG (DE) 2016-10-27 US disclosed
US-20160309717-A1 Compounds with Nematicidal Activity BAYER CROPSCIENCE AG (DE) 2016-10-27 US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
WO-2015091424-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-06-25 WO disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 WO disclosed
WO-2015028427-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-03-05 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-20160309717-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C MEN1 4336/4885KMT2A 1155/4885GAA 1983/4885
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 MEN1 2640/4885KMT2A 836/4885GAA 1800/4885
US-20240174674-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF RET, WEE1, JAK2 MEN1 211/4885KMT2A 2971/4885GAA 3924/4885
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT MEN1 2432/4885KMT2A 3533/4885GAA 246/4885

“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.