SCHEMBL6428655

SCHEMBL6428655

COc1c(C(=O)O)ccc2c1c(C=Cc1ccc(F)cc1)nn2C(C(N)=O)c1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
ENPP2 Q13822 1/20 0.31
CTSL P07711 2/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL6428672 0.91 TP53 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6426324 0.87 CTSL (0.33) ENPP2CTSLPTGS2
SCHEMBL6426373 0.86 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6426258 0.86 RECQL (0.31)
SCHEMBL6426439 0.84
SCHEMBL6427406 0.83 ENPP2 (0.33) KDM4CENPP2CTSLPTGS2
SCHEMBL6427278 0.82 MAOA (0.32) ENPP2CTSLPTGS2
SCHEMBL6426052 0.82 NPC1 (0.32) ENPP2CTSLPTGS2
SCHEMBL6425946 0.82 ENPP2 (0.33) KDM4CENPP2CTSLPTGS2
SCHEMBL6428560 0.80 ENPP2 (0.32) KDM4CENPP2CTSLPTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TUBB4A 1549/4885TUBB 1123/4885TUBA3C 2081/4885

“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.