SCHEMBL23901971

SCHEMBL23901971

Sc1ccnc(N2CCC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.37
GFER P55789 2/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 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
SCHEMBL18328365 0.96 KDM4E (0.42) KDM4ETSHRALDH1A1GLAGAA
SCHEMBL28456297 0.95 KDM4E (0.41) KDM4ETSHRALDH1A1GLAGAA
SCHEMBL31184185 0.95 KDM4E (0.41) KDM4ETSHRALDH1A1GLAGAA
SCHEMBL21856123 0.84 KDM4E (0.47) KDM4EALDH1A1GAALMNACASP1
SCHEMBL29506170 0.83 KDM4E (0.46) KDM4EALDH1A1GAALMNACASP1
SCHEMBL28626206 0.83 KDM4E (0.46) KDM4EALDH1A1GAALMNACASP1
SCHEMBL28907419 0.83 KDM4E (0.46) KDM4EALDH1A1GAALMNACASP1
SCHEMBL21940890 0.82
SCHEMBL21855948 0.82 PDE10A (0.41) LMNAMAPK1DYRK1A
SCHEMBL21856048 0.82 CNR2 (0.37) KDM4EALDH1A1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493440-B Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2024-08-23 CN disclosed
CN-115052866-B Crystal form of nitrogen-containing heteroaromatic derivative free alkali 上海翰森生物医药科技有限公司 2024-06-25 CN disclosed
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 CN disclosed
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 US disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-115353509-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-18 CN disclosed
CN-111295374-B Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-115052866-A Crystal form of free base of nitrogen-containing heteroaromatic derivative 上海翰森生物医药科技有限公司 2022-09-13 CN disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 US disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 US disclosed
CN-113493440-A Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2021-10-12 CN disclosed
WO-2021197452-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES 上海翰森生物医药科技有限公司 2021-10-07 WO disclosed
CN-111295374-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-06-16 CN 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 (2 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-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 KDM4E 1212/4885TSHR 3769/4885ALDH1A1 2775/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 KDM4E 906/4885TSHR 2910/4885ALDH1A1 3687/4885

“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.