SCHEMBL6702252

SCHEMBL6702252

N#Cc1cccnc1NCc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 10/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
CASP3 P42574 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 6/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 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
SCHEMBL3288539 0.86 HPGD (0.58) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1716065 0.85 NPC1 (0.64) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1715740 0.85 HPGD (0.51) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5584220 0.85 HPGD (0.50) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1715696 0.82 NPC1 (0.58) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3111473 0.78 NPC1 (0.58) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6441990 0.77 NPC1 (0.57) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6701190 0.77 NPC1 (0.57) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11177782 0.76 HPGD (0.60) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9849512 0.76 MAOA (0.51) HPGDCYP1A2CYP3A4CYP2D6CYP2C9

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 HPGD 2000/4885CYP1A2 3018/4885CYP3A4 972/4885

“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.