SCHEMBL6601654

SCHEMBL6601654

CCOc1c(F)c(-c2cccc(OC)c2)nn1CCOc1ccc(-c2ccsc2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 3/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34
TUBA3E Q6PEY2 2/20 0.34
TUBA1A Q71U36 2/20 0.34
TUBA1C Q9BQE3 2/20 0.34
TUBB6 Q9BUF5 2/20 0.34
TUBB2B Q9BVA1 2/20 0.34
TUBB1 Q9H4B7 2/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL6805493 0.90 TDP1 (0.36) MAPTHPGDTUBB4ATUBBTUBA3C
SCHEMBL6806561 0.90 CREBBP (0.37) MAPTHPGDTUBB4ATUBBTUBA3C
SCHEMBL6805266 0.90 CACNA2D1 (0.39) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6799808 0.88 CACNA2D1 (0.38) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6601576 0.87 CACNA2D1 (0.37) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6607916 0.86 SLC6A9 (0.36) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6600816 0.86 PIK3CD (0.39) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6602016 0.85 HPGD (0.37) MAPTHPGDTUBB4ATUBBTUBA3C
SCHEMBL6601389 0.85 MEN1 (0.39) MAPTSMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL6805466 0.85 KCNH2 (0.35) MAPTSMN1; SMN2HPGDTUBB4ATUBB

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 MC4R 1045/4885MAPT 3013/4885SMN1; SMN2 4654/4885

“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.