SCHEMBL6603514

SCHEMBL6603514

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
HPGD P15428 1/20 0.41
S1PR4 O95977 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
EIF4EBP1 Q13541 5/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STAT3 P40763 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6605678 0.89 KMT2A (0.40) LMNAKMT2AMEN1TP53L3MBTL1
SCHEMBL6600508 0.87 NSD2 (0.40) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6607860 0.86 HPGD (0.40) NLRP3HPGDS1PR4MAPTLMNA
SCHEMBL6603655 0.84 HPGD (0.38) HPGDS1PR4MAPTSMN1; SMN2TP53
SCHEMBL6804785 0.83 TP53 (0.38) HPGDS1PR4EIF4EBP1MAPTKMT2A
SCHEMBL6602658 0.83 HPGD (0.42) NLRP3HPGDS1PR4MAPTLMNA
SCHEMBL6602464 0.82 KDM4E (0.40) HPGDMAPTLMNAKMT2AMEN1
SCHEMBL6805998 0.81 HPGD (0.41) NLRP3HPGDS1PR4MAPTLMNA
SCHEMBL6602669 0.81 KDM4E (0.45) HPGDS1PR4MAPTLMNASMN1; SMN2
SCHEMBL6605085 0.81 MRGPRX4 (0.42) HPGDS1PR4MAPTSMN1; SMN2NPC1

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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 NLRP3 1134/4885HPGD 76/4885S1PR4 2513/4885

“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.