SCHEMBL12377499

SCHEMBL12377499

NC(=O)c1nc(-c2ccc(C3CCCCC3)cc2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.55
TGFBR2 P37173 1/20 0.55
DGAT1 O75907 4/20 0.55
ATR Q13535 10/20 0.51
ACVR1 Q04771 3/20 0.49
PRKDC P78527 3/20 0.46
ATM Q13315 2/20 0.46
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12376748 0.90 ACVR2A (0.55) ACVR2ATGFBR2DGAT1ATRACVR1
SCHEMBL2258528 0.83 DGAT1 (0.78) DGAT1
SCHEMBL2258532 0.83 DGAT1 (0.78) DGAT1
Hydrochloric Acid SCHEMBL2255383 0.83 DGAT1 (0.77) DGAT1
Hydrochloric Acid SCHEMBL2255386 0.83 DGAT1 (0.77) DGAT1
SCHEMBL5537539 0.78 DGAT1 (0.61) ACVR2ATGFBR2DGAT1
SCHEMBL27991674 0.77 HPGDS (0.47) DGAT1DHODHKDM4EGLAHTT
SCHEMBL18895999 0.76 ATR (0.64) ACVR2ATGFBR2ATRACVR1PRKDC
SCHEMBL3462610 0.76 ATR (0.63) ATRPRKDCATM
SCHEMBL28049139 0.76 ATR (0.64) ACVR2ATGFBR2ATRACVR1PRKDC

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-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 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-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ACVR2A 3271/4885TGFBR2 3744/4885DGAT1 1/4885

“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.