SCHEMBL23979971

SCHEMBL23979971

Brc1cccc2c1SCCC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCL2L1 Q07817 1/20 0.31
BAD Q92934 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
SCHEMBL13972198 0.88 KDM1A (0.30)
SCHEMBL7526110 0.76 BCL2L1 (0.48) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL4104527 0.76 HPGD (0.38) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL23987301 0.76 HTR1A (0.39) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL8581327 0.76 HTR1A (0.41) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL10662574 0.73 HTR1A (0.37) HTR1AADRA2ASLC6A2SLC6A4BCL2L1
SCHEMBL9409715 0.72 HTR1A (0.41) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL7426602 0.72 ALDH1A1 (0.40) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL13532968 0.72 SLC6A2 (0.41) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL7524020 0.70 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 EP disclosed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 WO disclosed
US-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR SHANGHAI KECHOW PHARMA, INC. (CN) 2024-04-04 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
CN-116648452-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-08-25 CN disclosed
CN-113999226-B Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-01-06 CN disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
CN-113999226-A Heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2022-02-01 CN disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 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 (1 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-20240109893-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR KRAS, NRAS, HRAS HTR1A 4739/4885ADRA2A 4041/4885SLC6A2 4077/4885

“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.