SCHEMBL22647484

SCHEMBL22647484

COC(=O)c1cc2c(F)c(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
XDH P47989 2/20 0.46
ULK1 O75385 1/20 0.45
FLT3 P36888 1/20 0.43
HRH4 Q9H3N8 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 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
SCHEMBL11965473 0.86 CYP1A2 (0.45) CYP1A2XDHULK1FLT3HRH4
SCHEMBL13593174 0.86 HRH4 (0.40) FLT3HRH4ALDH1A1HPGDKDM4E
SCHEMBL11965472 0.85 GAA (0.47) CYP1A2XDHULK1FLT3ALDH1A1
SCHEMBL1504255 0.85 HRH4 (0.57) CYP1A2XDHULK1FLT3HRH4
SCHEMBL30310454 0.85 DAO (0.52) CYP1A2XDHULK1FLT3HRH4
SCHEMBL22620744 0.85 CYP1A2 (0.44) CYP1A2XDHULK1FLT3HRH4
SCHEMBL19332317 0.85 DAO (0.52) CYP1A2XDHULK1FLT3HRH4
SCHEMBL19332395 0.84 ULK1 (0.50) CYP1A2XDHULK1FLT3KDM4E
SCHEMBL22620748 0.84 CYP1A2 (0.43) CYP1A2XDHULK1FLT3HRH4
SCHEMBL4404148 0.84 KDM4E (0.56) ALDH1A1HPGDKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-12 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-20200354379-A1 NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 CYP1A2 2171/4885XDH 1106/4885ULK1 1232/4885

“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.