SCHEMBL922757

SCHEMBL922757

Cn1nnc2ccc(N)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.53
KEAP1 Q14145 1/20 0.53
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR3 P49019 1/20 0.42
GRM4 Q14833 1/20 0.42
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 1/20 0.40
NSD2 O96028 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CASP6 P55212 1/20 0.37
PRKCI P41743 1/20 0.37
ATM Q13315 1/20 0.37
NOTUM Q6P988 1/20 0.36
PTPN11 Q06124 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL210242 0.84 NPC1 (0.54) SLC9A1KEAP1KDM4ENPC1L3MBTL1
Hydrochloric Acid SCHEMBL30764982 0.82 KDM4E (0.53) SLC9A1KEAP1KDM4ENPC1L3MBTL1
SCHEMBL3462849 0.78 SLC9A1 (0.55) SLC9A1KEAP1KDM4ENPC1HCAR3
SCHEMBL19848340 0.78 MAPT (0.55) KDM4ENPC1L3MBTL1MAPTALDH1A1
SCHEMBL19848080 0.77 KDM4E (0.40) SLC9A1KEAP1KDM4ENPC1L3MBTL1
SCHEMBL19911601 0.77 SLC9A1 (0.60) SLC9A1KDM4ENPC1L3MBTL1HCAR3
SCHEMBL1161406 0.76 SLC9A1 (0.53) SLC9A1KEAP1NPC1HCAR3GRM4
SCHEMBL3192611 0.76 KEAP1 (0.53) SLC9A1KEAP1NPC1HCAR3GRM4
SCHEMBL17410806 0.76 SLC9A1 (0.53) SLC9A1KEAP1KDM4EHCAR3GRM4
SCHEMBL19848433 0.76 SLC9A1 (0.53) SLC9A1KEAP1NPC1HCAR3GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 EP claimed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
CN-1258286-A Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2000-06-28 CN disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 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 (8 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B SLC9A1 3806/4885KEAP1 707/4885KDM4E 3777/4885
US-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 SLC9A1 3511/4885KEAP1 3809/4885KDM4E 4304/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C SLC9A1 4342/4885KEAP1 1741/4885KDM4E 1067/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 SLC9A1 1063/4885KEAP1 1691/4885KDM4E 3788/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED SLC9A1 4300/4885KEAP1 283/4885KDM4E 107/4885
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 SLC9A1 341/4885KEAP1 4202/4885KDM4E 2256/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 SLC9A1 3879/4885KEAP1 4071/4885KDM4E 4196/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 SLC9A1 4408/4885KEAP1 196/4885KDM4E 136/4885

“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.