SCHEMBL13368482

SCHEMBL13368482

CCNC(=O)c1cccn(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.61
CHIA Q9BZP6 1/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
RAB9A P51151 3/20 0.42
CNR2 P34972 2/20 0.42
NPC1 O15118 2/20 0.42
LIPG Q9Y5X9 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CXCR2 P25025 1/20 0.41
CNR1 P21554 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL24568261 0.78 MEN1 (0.59) KDM4EKMT2AL3MBTL1RAB9ATSHR
SCHEMBL9394326 0.77 RAB9A (0.62) BRD4KMT2AL3MBTL1RAB9ANPC1
SCHEMBL12376659 0.77 MAPT (0.48) BRD4KDM4EKMT2ABRD2BRD3
SCHEMBL12848314 0.77 ALDH1A1 (0.43) BRD4KDM4EL3MBTL1BRD2BRD3
SCHEMBL13115612 0.76 BRD4 (1.00) BRD4KDM4EKMT2AL3MBTL1BRD2
SCHEMBL31483721 0.76 HTT (0.64) BRD4KMT2AL3MBTL1TSHRHTT
SCHEMBL26417076 0.76 HTT (0.64) BRD4KMT2AL3MBTL1TSHRHTT
SCHEMBL13115615 0.75 BRD4 (0.55) BRD4KMT2AL3MBTL1NPC1
SCHEMBL2280624 0.74 ALDH1A1 (0.46) BRD4KDM4EL3MBTL1HSD17B10BRD2
SCHEMBL27667384 0.74 BRD4 (0.50) BRD4KDM4EKMT2AL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (2 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC BRD4 4102/4885CHIA 1607/4885KDM4E 3968/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 BRD4 3330/4885CHIA 3154/4885KDM4E 4855/4885

“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.