SCHEMBL22046448

SCHEMBL22046448

C[Si](C)(C)C#Cc1ccc(Nc2sc3ncccc3c2C(=O)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.39
DHODH Q02127 4/20 0.37
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 2/20 0.36
ATM Q13315 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL20564982 0.86 DHODH (0.39) CLK1DHODHMAP2K1MAP2K2ATM
SCHEMBL30034964 0.86 DHODH (0.39) CLK1DHODHMAP2K1MAP2K2ATM
SCHEMBL24350196 0.83 ATM (0.44) CLK1DHODHMAP2K1MAP2K2ATM
SCHEMBL30033040 0.81 MAP2K1 (0.51) CLK1DHODHMAP2K1MAP2K2
SCHEMBL949141 0.81 MAP2K1 (0.51) CLK1DHODHMAP2K1MAP2K2
SCHEMBL20565710 0.80 DHODH (0.39) CLK1DHODHMAP2K1MAP2K2ATM
SCHEMBL30034948 0.80 DHODH (0.39) CLK1DHODHMAP2K1MAP2K2ATM
SCHEMBL24350193 0.77 MAP2K1 (0.43) CLK1DHODHMAP2K1MAP2K2ALDH1A1
SCHEMBL24349945 0.74 ATM (0.43) CLK1MAP2K1MAP2K2ATMALDH1A1
SCHEMBL3120057 0.74 MAP2K1 (0.46) CLK1MAP2K1MAP2K2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 US disclosed
EP-3624795-B1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS INC (US) 2022-04-20 EP disclosed
EP-3883553-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-10988483-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (MA) 2021-04-27 US disclosed
US-20200172550-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2020-06-04 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 (3 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-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS HTR3C, NDUFA13, NDUFAF3 CLK1 3929/4885DHODH 3633/4885MAP2K1 4087/4885
US-10988483-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF CLK1 1596/4885DHODH 2085/4885MAP2K1 59/4885
US-20200172550-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CYP19A1, BRAF CLK1 1596/4885DHODH 2085/4885MAP2K1 59/4885

“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.