SCHEMBL29536268

SCHEMBL29536268

COc1cnc2sc(Nc3ccc(I)cc3F)c(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.41
MAP2K2 P36507 10/20 0.41
FLT1 P17948 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
CISD2 Q8N5K1 1/20 0.35

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
SCHEMBL28410513 1.00 MAP2K1 (0.41) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL29536827 0.90 MAP2K1 (0.43) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL28406155 0.90 MAP2K1 (0.43) MAP2K1MAP2K2HDAC3HDAC1HDAC6
SCHEMBL20564882 0.88 MAP2K1 (0.49) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL30035019 0.88 MAP2K1 (0.49) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL20564894 0.84 MAP2K1 (0.43) MAP2K1MAP2K2FLT1HDAC3HDAC1
SCHEMBL20565254 0.83 MAP2K1 (0.40) MAP2K1MAP2K2FLT1CISD2
SCHEMBL30035117 0.83 MAP2K1 (0.40) MAP2K1MAP2K2FLT1CISD2
SCHEMBL29536816 0.83 MAP2K1 (0.40) MAP2K1MAP2K2FLT1CISD2
SCHEMBL20565325 0.81 MAP2K1 (0.56) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387379-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFLECTION THERAPEUTICS INC (US) 2025-12-25 US disclosed
CN-119215031-A Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-12-31 CN disclosed
CN-113645964-B Arylaniline and heteroaryl aniline compounds for fetal treatment 恩福莱克逊治疗有限公司 2024-10-11 CN disclosed
CN-113660931-B Arylaniline and heteroaryl aniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2024-10-11 CN disclosed
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
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-20220087989-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFLECTION THERAPEUTICS, INC. 2022-03-24 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 (4 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 3533/4885FLT1 2710/4885
US-20220087989-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NCOA3, TYR, CYP3A43 MAP2K1 2772/4885MAP2K2 2465/4885FLT1 1550/4885
US-11542271-B2 Fused heteroaromatic-aniline compounds for treatment of dermal disorders TYR, CYP19A1, BRAF MAP2K1 58/4885MAP2K2 37/4885FLT1 2396/4885
US-20250387379-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS SUB1, AHR, NCOA3 MAP2K1 3307/4885MAP2K2 3471/4885FLT1 2325/4885

“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.