SCHEMBL5000297

SCHEMBL5000297

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 9/20 0.39
CDC7 O00311 1/20 0.38
MPO P05164 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
KCNH2 Q12809 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MCHR1 Q99705 1/20 0.36
QPCT Q16769 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 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
SCHEMBL4993219 0.86 CDC7 (0.42) CFTRCDC7MEN1ALDH1A1KMT2A
SCHEMBL4991753 0.86 DHODH (0.50) CFTRCDK4CCND1MEN1ALDH1A1
SCHEMBL4995825 0.85 CDC7 (0.46) CFTRCDC7MEN1ALDH1A1KMT2A
SCHEMBL4999586 0.84 DHODH (0.52) CFTRCDK4CCND1MEN1ALDH1A1
SCHEMBL4997120 0.84 NPC1 (0.44) CFTRCDC7MEN1ALDH1A1KMT2A
SCHEMBL14188457 0.84 CDC7 (0.50) CFTRCDC7FYN
SCHEMBL5000532 0.83 CDK4 (0.51) CDK4CCND1MEN1KMT2ADHODH
SCHEMBL4996334 0.83 CFTR (0.44) CFTRCDC7MEN1KMT2A
SCHEMBL4994851 0.83 APP (0.46) ALDH1A1KMT2ADHODHTSHR
SCHEMBL4994961 0.83 CDC7 (0.44) CFTRCDC7MEN1ALDH1A1KMT2A

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CFTR 4192/4885CDC7 487/4885MPO 1409/4885

“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.