SCHEMBL6601576

SCHEMBL6601576

CCOc1c(F)c(-c2cccc(OC)c2)nn1CCOc1ccc(-c2ccc(C)c(C)c2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL6799808 0.92 CACNA2D1 (0.38) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6805266 0.92 CACNA2D1 (0.39) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6618518 0.90 MAPT (0.38) HPGDMAPTTUBB4ATUBBTUBA3C
SCHEMBL6607916 0.88 SLC6A9 (0.36) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6600816 0.88 PIK3CD (0.39) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6601654 0.87 MC4R (0.35) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6805466 0.87 KCNH2 (0.35) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6601389 0.87 MEN1 (0.39) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6602286 0.87 MAPT (0.37) CACNA2D1HPGDMAPTSMN1; SMN2TUBB4A
SCHEMBL6809790 0.87 KDM4E (0.39) CACNA2D1HPGDMAPTSMN1; SMN2LMNA

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 CACNA2D1 3067/4885HPGD 76/4885MAPT 3013/4885

“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.