SCHEMBL24558571

SCHEMBL24558571

CCOC(=O)c1c(Nc2ccc(I)cc2F)sc(C#N)c1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.55
MAP2K2 P36507 10/20 0.55
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CISD2 Q8N5K1 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL24558566 0.90 MAP2K2 (0.44) MAP2K1MAP2K2NPC1MAPTNFKB1
SCHEMBL24558816 0.86 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL23852169 0.83 MAP2K2 (0.57) MAP2K1MAP2K2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30827541 0.83 MAP2K2 (0.57) MAP2K1MAP2K2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24558579 0.82 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL24558518 0.81 MAP2K2 (0.54) MAP2K1MAP2K2NPC1MAPTNFKB1
SCHEMBL24558708 0.80 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL24558537 0.79 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL24558699 0.79 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL26047543 0.78 MAP2K1 (0.41) 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 4 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
US-20220204486-A1 THIENYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-06-30 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-20220204486-A1 THIENYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, NAT1, BRAF MAP2K1 455/4885MAP2K2 282/4885NPC1 2617/4885
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS HTR3C, NDUFA13, NDUFAF3 MAP2K1 4087/4885MAP2K2 3533/4885NPC1 2326/4885

“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.