SCHEMBL2398828

SCHEMBL2398828

O=C(O)C1(Cl)C=CC(c2ccccc2)=NN1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL28087484 0.60
SCHEMBL9077587 0.56 CFTR (0.37) KDM4ELMNAALDH1A1KMT2A
Biphenyl SCHEMBL3399859 0.56 ALDH1A1 (0.60) TP53LMNAALDH1A1
Biphenyl SCHEMBL29282085 0.56 ALDH1A1 (0.60) TP53LMNAALDH1A1
Biphenyl SCHEMBL5071211 0.56 ALDH1A1 (0.60) TP53LMNAALDH1A1
Biphenyl SCHEMBL7062651 0.56 ALDH1A1 (0.60) TP53LMNAALDH1A1
Biphenyl SCHEMBL1396421 0.55 ALDH1A1 (0.69) TP53LMNAALDH1A1
Biphenyl SCHEMBL750993 0.55 ALDH1A1 (0.69) TP53LMNAALDH1A1
Biphenyl SCHEMBL190337 0.55 ALDH1A1 (0.69) TP53LMNAALDH1A1
Biphenyl SCHEMBL377457 0.55 ALDH1A1 (0.69) TP53LMNAALDH1A1

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-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 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 (2 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-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 TP53 156/4885PIN1 807/4885KDM4E 1519/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB TP53 170/4885PIN1 1050/4885KDM4E 1066/4885

“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.