SCHEMBL2932743

SCHEMBL2932743

O=C(Oc1c(-c2cncc(Br)c2)[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 2/20 0.43
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 0.37
TUBA1C Q9BQE3 3/20 0.37
TUBB6 Q9BUF5 3/20 0.37
TUBB2B Q9BVA1 3/20 0.37
TUBB1 Q9H4B7 3/20 0.37
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 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
SCHEMBL1605900 0.75 CYP11B1 (0.43) PADI4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2932798 0.75 KCNH2 (0.43) CYP11B2
SCHEMBL4886439 0.75 POLB (0.45)
SCHEMBL16213112 0.74 GABRA1 (0.50) PADI4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1749443 0.69 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3638796 0.69 MAP2 (0.49) ALDH1A1HTT
Trifluoroacetic Acid SCHEMBL2932739 0.68 CYP19A1 (0.49) PADI4ALDH1A1ALOX15HTT
SCHEMBL6579403 0.66 KDM4E (0.53) ALDH1A1
SCHEMBL19748380 0.66 CHEK1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11117588 0.66 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 PADI4 3097/4885TUBB4A 2401/4885TUBB 2100/4885

“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.