SCHEMBL2210783

SCHEMBL2210783

Oc1cc2ncccc2nc1Oc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
ENPP3 O14638 5/20 0.50
AURKA O14965 3/20 0.50
AURKB Q96GD4 2/20 0.50
TPX2 Q9ULW0 2/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2966793 0.82 KDR (0.51) KDRENPP3AURKAAURKBTPX2
SCHEMBL3702571 0.80 KDR (0.54) KDRENPP3AURKAAURKBTPX2
SCHEMBL2207096 0.79 MAPT (0.50) KDRENPP3AURKAMAPTLMNA
SCHEMBL1832652 0.77 KDR (0.55) KDRENPP3AURKAAURKBTPX2
SCHEMBL2210774 0.76 AURKA (0.49) KDRENPP3AURKAAURKBTPX2
SCHEMBL2209315 0.76 MAPT (0.54) KDRENPP3MAPTLMNAPOLB
SCHEMBL15663382 0.76 MAPT (0.54) KDRENPP3MAPTLMNATP53
SCHEMBL3703048 0.76 KDR (0.50) KDRENPP3AURKAAURKBTPX2
SCHEMBL2209159 0.76 KDR (0.50) KDRENPP3AURKAAURKBTPX2
SCHEMBL3702833 0.76 KDR (0.50) KDRENPP3AURKAAURKBTPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 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-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 KDR 644/4885ENPP3 1630/4885AURKA 2/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 KDR 644/4885ENPP3 1630/4885AURKA 2/4885

“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.