SCHEMBL29778140

SCHEMBL29778140

Clc1cccc(-c2ccccc2)c1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
AKR1C3 P42330 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK14 Q16539 1/20 0.35
ROCK2 O75116 1/20 0.35
CNR1 P21554 1/20 0.34
GAA P10253 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HSD11B1 P28845 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL30491536 0.83 CYP2A6 (0.36) CYP2A6AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL1790973 0.83 ALDH1A1 (0.37) CYP2A6ALDH1A1MEN1KMT2ALMNA
SCHEMBL31087066 0.79 TSHR (0.35) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL30354041 0.78 HTR6 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1048762 0.78 HTR6 (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29548021 0.76 ROCK2 (0.44) ALDH1A1LMNANPC1RAB9AROCK2
SCHEMBL29375643 0.76 HTR1A (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL133189 0.75 ALDH1A1 (0.41) CYP2A6ALDH1A1MEN1KMT2ALMNA
SCHEMBL29353025 0.75 ALDH1A1 (0.41) CYP2A6ALDH1A1MEN1KMT2ALMNA
SCHEMBL1159030 0.75 ALDH1A1 (0.41) CYP2A6ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 US claimed
EP-4359401-A1 PROCESS FOR PREPARING EGFR INHIBITORS Blueprint Medicines Corporation (US) 2024-05-01 EP claimed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN claimed
WO-2022271801-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO claimed
EP-4680601-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES Sanofi (FR) 2026-01-21 EP disclosed
EP-4038071-B1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR BLUEPRINT MEDICINES CORP (US) 2024-12-18 EP disclosed
US-20240360151-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES SANOFI (FR) 2024-10-31 US disclosed
WO-2024188994-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES SANOFI (FR) 2024-09-19 WO disclosed
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 US disclosed
EP-4359401-A1 PROCESS FOR PREPARING EGFR INHIBITORS Blueprint Medicines Corporation (US) 2024-05-01 EP disclosed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN disclosed
WO-2022271801-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
US-20220396576-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR BLUEPRINT MEDICINES CORPORATION 2022-12-15 US disclosed
EP-4038071-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR Blueprint Medicines Corporation (US) 2022-08-10 EP 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-20240360151-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES NLRP3, NOD1, NLRP1 CYP2A6 3314/4885AKR1C3 118/4885ALDH1A1 3601/4885
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS EGFR, ERBB2, ERBB4 CYP2A6 2323/4885AKR1C3 2735/4885ALDH1A1 2197/4885
US-20220396576-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR ACVR1, ACVRL1, BMP2K CYP2A6 3014/4885AKR1C3 996/4885ALDH1A1 3481/4885

“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.