SCHEMBL3689757

SCHEMBL3689757

C=CC(=O)n1nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
AKT1 P31749 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 4/20 0.37
KMT2A Q03164 2/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
TET3 O43151 1/20 0.37
FBXL19 Q6PCT2 1/20 0.37
CXXC5 Q7LFL8 1/20 0.37
TET1 Q8NFU7 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
CXXC4 Q9H2H0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL523395 0.73 HPGD (0.46) KDM4EHPGDTSHRKMT2AALDH1A1
SCHEMBL19401265 0.72 KDM4E (0.38) KDM4EHPGDAKT1
SCHEMBL11883102 0.71 PARP1 (0.40) KDM4EHPGDTSHRACHEKMT2A
SCHEMBL8143932 0.71 NPC1 (0.44) KDM4EHPGDTSHRKMT2AALDH1A1
SCHEMBL31707307 0.71 HPGD (0.40) KDM4EHPGDTSHRKMT2AALDH1A1
SCHEMBL20433970 0.71 HPGD (0.36) KDM4EHPGDAKT1TSHRALDH1A1
SCHEMBL28365976 0.71 THRB (0.38) KDM4EHPGDAKT1KMT2APTPN1
SCHEMBL21098969 0.71 KDM4E (0.36) KDM4EHPGDAKT1TSHRSMN1; SMN2
SCHEMBL18613076 0.68 KDM4E (0.31) KDM4EHPGD
SCHEMBL22304415 0.68 KDM4E (0.31) KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015076-A1 POLYMER STRUCTURE REACTING WITH KERATIN, SYNTHESIS AND USE THEREOF EUDERMIC S.R.L. (IT) 2010-01-21 US claimed
US-20100015076-A1 POLYMER STRUCTURE REACTING WITH KERATIN, SYNTHESIS AND USE THEREOF EUDERMIC S.R.L. (IT) 2010-01-21 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-20100015076-A1 POLYMER STRUCTURE REACTING WITH KERATIN, SYNTHESIS AND USE THEREOF KRT18, PRKDC, CKAP4 KDM4E 1872/4885HPGD 670/4885AKT1 4491/4885

“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.