SCHEMBL3418500

SCHEMBL3418500

Cc1cc2nc(C)c(C#N)c(N)n2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
KDR P35968 1/20 0.55
AURKB Q96GD4 1/20 0.55
KDM4E B2RXH2 8/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 3/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24618217 0.83 KMT2A (0.63) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL11930695 0.77 KDM4E (0.54) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL24618201 0.72 MAPT (0.51) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL10388599 0.71 KDM4E (0.66) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL238864 0.70 KDM4E (0.47) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL24618635 0.70 KMT2A (0.49) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL236642 0.70 KDM4E (0.47) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL4887685 0.69 KDM4E (0.43) AURKAKDRAURKBKDM4EKMT2A
SCHEMBL24618407 0.68 MAPT (0.47) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL20534145 0.67 KDM4E (0.60) AURKAKDRAURKBKDM4EKMT2A

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-20100089285-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-04-15 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-20100089285-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND TYR, CCNL2, RB1 AURKA 105/4885KDR 3265/4885AURKB 1018/4885

“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.