SCHEMBL6605097

SCHEMBL6605097

CCOc1cc(-c2ccc(C(=O)OC)cc2)nn1CCOc1ccc(-c2cc(C)cs2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
GCGR P47871 2/20 0.38
GIPR P48546 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TNFRSF1A P19438 2/20 0.35
HPGD P15428 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 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
SCHEMBL6606665 0.93 MRGPRX4 (0.36) GCGRGIPRMEN1KMT2APOLB
SCHEMBL6613685 0.92 TP53 (0.41) GCGRGIPRMEN1KMT2APOLB
SCHEMBL6600968 0.88 MEN1 (0.43) NLRP3GCGRGIPRMEN1KMT2A
SCHEMBL6602576 0.86 EIF4EBP1 (0.40) SMN1; SMN2NPC1RAB9A
SCHEMBL6805306 0.85 MRGPRX4 (0.41) GCGRGIPRMEN1KMT2APOLB
SCHEMBL6603554 0.85 NLRP3 (0.38) NLRP3GCGRGIPRMEN1KMT2A
SCHEMBL6602643 0.85 KMT2A (0.44) NLRP3GCGRGIPRMEN1KMT2A
SCHEMBL6604278 0.84 ALDH1A1 (0.36) NLRP3GCGRGIPRMEN1KMT2A
SCHEMBL6602442 0.84 ALDH1A1 (0.36) NLRP3GCGRGIPRMEN1KMT2A
SCHEMBL6607403 0.84 NLRP3 (0.43) NLRP3GCGRGIPRMEN1KMT2A

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 1134/4885GCGR 2460/4885GIPR 1805/4885

“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.