SCHEMBL22045819

SCHEMBL22045819

CCONC(=O)c1c(Nc2ccc(I)cc2F)sc2ncc(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.50
MAP2K2 P36507 7/20 0.47
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL24906176 0.92 MAP2K1 (0.40) MAP2K1MAP2K2KCNH2
SCHEMBL22045822 0.91 MAP2K1 (0.58) MAP2K1MAP2K2KCNH2CYP3A4CYP2C9
SCHEMBL22045820 0.90 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL22045821 0.89 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL22045796 0.88 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL22045797 0.88 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL22045812 0.84 MAP2K1 (0.49) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL22045848 0.83 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL24906390 0.83 MAP2K1 (0.48) MAP2K1MAP2K2KCNH2CYP3A4CYP2C9
SCHEMBL20565269 0.82 MAP2K1 (0.57) MAP2K1MAP2K2KCNH2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 US disclosed
US-11542271-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2023-01-03 US disclosed
EP-3624795-B1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS INC (US) 2022-04-20 EP disclosed
US-20210380601-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2021-12-09 US 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 (5 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 MAP2K1 4087/4885MAP2K2 3533/4885KCNH2 1888/4885
US-20210380601-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CYP19A1, BRAF MAP2K1 58/4885MAP2K2 37/4885KCNH2 3395/4885
US-10988483-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF MAP2K1 59/4885MAP2K2 34/4885KCNH2 3390/4885
US-20200172550-A1 FUSED HETEROAROMATIC-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CYP19A1, BRAF MAP2K1 59/4885MAP2K2 34/4885KCNH2 3390/4885
US-11542271-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF MAP2K1 58/4885MAP2K2 37/4885KCNH2 3395/4885

“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.