SCHEMBL5620609

SCHEMBL5620609

Clc1nc2ccccc2cc1CN1C[C@@H]2CC[C@H]1Cc1ccccc1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.32
PIK3CG P48736 1/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL5622208 0.79 DRD2 (0.39) DRD2DRD3KCNH2FAAHBCHE
SCHEMBL5620580 0.78 DPP4 (0.41) DRD2DRD3KCNH2FAAHHTR3A
SCHEMBL5621880 0.78 DRD2 (0.48) KMT2ADRD2DRD3KCNH2LMNA
SCHEMBL5621555 0.78 DRD2 (0.48) KMT2ADRD2DRD3KCNH2LMNA
SCHEMBL5622914 0.76 SIGMAR1 (0.45) DRD2DRD3KCNH2
SCHEMBL5622185 0.75 LMNA (0.41) KMT2ADRD2DRD3KCNH2FAAH
SCHEMBL5620557 0.75 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL14458480 0.75 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL5622611 0.75 DRD2 (0.46) DRD2DRD3KCNH2
SCHEMBL5620494 0.74 XIAP (0.39) DRD2DRD3KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US claimed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
EP-1496897-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-05-10 EP disclosed
EP-1496897-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 KMT2A 687/4885DRD2 1517/4885DRD3 1813/4885

“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.