SCHEMBL21707239

SCHEMBL21707239

COC(=O)c1c(C)nc(Cl)nc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
PLA2G2A P14555 2/20 0.43
MAPT P10636 7/20 0.43
ALOX15 P16050 1/20 0.43
PDE5A O76074 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NFKB1 P19838 1/20 0.41
GAA P10253 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 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
SCHEMBL25401906 0.89 MEN1 (0.48) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL14725182 0.88 SMN1; SMN2 (0.54) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL1986001 0.87 NFKB1 (0.51) HPGDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17054935 0.86 MAPT (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1811503 0.81 PPARG (0.54) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL21707085 0.80 SYK (0.43) LMNAMAPTNFKB1KDM4E
SCHEMBL17055090 0.80 MAPT (0.47) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21707007 0.79 MAPT (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13861458 0.78 HPGD (0.49) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL21707084 0.78 CDK19 (0.43) SMN1; SMN2ALDH1A1L3MBTL1

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-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-11-16 US disclosed
US-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-13 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-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF DPYD, ACR, QDPR HPGD 463/4885NPC1 3548/4885RAB9A 4564/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR HPGD 463/4885NPC1 3548/4885RAB9A 4564/4885

“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.