SCHEMBL7124200

SCHEMBL7124200

Clc1cc(Nc2ncnc3c2CCc2ccccc2-3)cnc1NCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
DYRK1A Q13627 1/20 0.38
PTK2 Q05397 1/20 0.38
EGFR P00533 5/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ERBB2 P04626 3/20 0.37
RECQL P46063 1/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6754321 0.69 GLA (0.42) ALDH1A1HPGDPTK2MAPTNPC1
SCHEMBL6757770 0.69 MAOA (0.54) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL21835307 0.67 KDM4E (0.47) KDM4EALDH1A1HPGDEGFRERBB2
SCHEMBL7126866 0.67 EGFR (0.45) LMNADYRK1AEGFRMAPK1HSD17B10
SCHEMBL14993636 0.66 PDE5A (0.50) KDM4EALDH1A1HPGDHDAC4HDAC1
SCHEMBL7122000 0.66 HTR2C (0.47) NPC1RAB9A
SCHEMBL7127628 0.65 DYRK1A (0.43) ALDH1A1HPGDDYRK1AEGFRMAPK1
SCHEMBL7118837 0.64 DYRK1A (0.38) DYRK1AEGFRIGF1RGSK3B
SCHEMBL7130469 0.63 DYRK1A (0.66) KDM4EALDH1A1HPGDLMNADYRK1A
SCHEMBL7126114 0.63 DYRK1A (0.38) DYRK1AEGFRJAK2JAK1CDK2

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 KDM4E 2224/4885ALDH1A1 2482/4885HPGD 328/4885

“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.