SCHEMBL6004222

SCHEMBL6004222

O=C(Nc1c(Cl)cccc1Cl)c1cc[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.53
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.43
LCK P06239 1/20 0.41

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
SCHEMBL561714 0.82 ALDH1A1 (0.47) KMT2AMEN1NLRP3
SCHEMBL23212117 0.78 NPC1 (0.52) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL13875546 0.78 KMT2A (0.36) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL19748 0.76 KMT2A (0.61) KMT2ASMN1; SMN2TP53POLB
SCHEMBL4188965 0.75 MEN1 (0.45) KMT2AMEN1LMNAJAK2JAK1
SCHEMBL28876498 0.75 P2RX7 (0.42) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL6004361 0.75 ATM (0.49) KMT2AMEN1MAPTPOLB
SCHEMBL23246023 0.75 NPC1 (0.53) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL23246073 0.74 GRM4 (0.57) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL18010190 0.74 KMT2A (0.33) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B TYK2 1249/4885KMT2A 4358/4885MEN1 4278/4885

“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.