SCHEMBL6700607

SCHEMBL6700607

CC(C)(N)CNc1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NUDT1 P36639 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL6700003 0.81 MAPT (0.44) SMN1; SMN2ALDH1A1HPGDKMT2AADRA2A
SCHEMBL12212102 0.79 NUDT1 (0.39) SMN1; SMN2KMT2AADRA2AADRA2BADRA2C
SCHEMBL1435912 0.79 NPC1 (0.46) SMN1; SMN2ALDH1A1HPGDKMT2AKDM4E
SCHEMBL3827086 0.77 RAB9A (0.51) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL6701356 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KMT2AADRA2AADRA2B
SCHEMBL12497548 0.76 PTK2 (0.56) PTK2SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL646539 0.76 DPP4 (0.47) KMT2A
SCHEMBL6700940 0.74 NNMT (0.59) SMN1; SMN2
SCHEMBL6701251 0.74 KDM4E (0.44) SMN1; SMN2ALDH1A1HPGDKMT2ATDP1
SCHEMBL6696009 0.74 HCAR3 (0.42) KMT2AL3MBTL1MAPTNUDT1TP53

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 PTK2 4497/4885SMN1; SMN2 3810/4885ALDH1A1 925/4885

“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.