SCHEMBL70667

SCHEMBL70667

N#Cc1ccc(Nc2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.67
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDR P35968 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MAP2K1 Q02750 2/20 0.41

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
SCHEMBL17539186 0.84 CHEK1 (0.53) CHEK1ALDH1A1ALOX12L3MBTL1AR
SCHEMBL27853613 0.84 CHEK1 (0.53) CHEK1ALOX15MEN1KMT2AAR
SCHEMBL17364435 0.80 CHEK1 (0.50) CHEK1KDRKMT2ACDK1CDK2
SCHEMBL2229725 0.78 CHEK1 (0.55) CHEK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3931012 0.77 CHEK1 (0.50) CHEK1ARKCNQ3KCNQ2
SCHEMBL13549920 0.77 KIF11 (0.57) CHEK1MAPT
SCHEMBL2848133 0.76 CHEK1 (0.51) CHEK1ALDH1A1L3MBTL1ARKCNQ3
SCHEMBL185440 0.75 CHEK1 (0.51) CHEK1
SCHEMBL13002895 0.75 CHEK1 (0.50) CHEK1ALDH1A1ARKCNQ3KCNQ2
Hydrochloric Acid SCHEMBL551265 0.75 CHEK1 (0.50) CHEK1ALDH1A1L3MBTL1ARKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CHEK1 4606/4885HSD17B10 101/4885ALDH1A1 784/4885

“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.