SCHEMBL24195778

SCHEMBL24195778

N#Cc1ccc(C(=O)NOCCN)c(Nc2ccc(I)cc2F)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 15/20 0.68
▸ MAP2K2 P36507 2/20 0.52
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ CAMK2B Q13554 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ KCNH2 Q12809 2/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL23854204 0.93 MAP2K1 (0.62) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL31135621 0.93 MAP2K1 (0.62) MAP2K1MAP2K2CYP2C9CYP2C19CYP3A4
SCHEMBL23853581 0.90 MAP2K1 (0.68) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL31135629 0.90 MAP2K1 (0.68) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24195779 0.90 MAP2K1 (0.57) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24195775 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24195780 0.88 MAP2K1 (0.52) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24196121 0.88 MAP2K1 (0.55) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24195671 0.88 MAP2K1 (0.69) MAP2K1MAP2K2CYP2C9CYP2C19PIM1
SCHEMBL24196060 0.88 MAP2K1 (0.52) MAP2K1MAP2K2CYP2C9CYP2C19PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572344-B2 Cyanoaryl-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2023-02-07 — — US disclosed
US-20220009887-A1 CYANOARYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-01-13 — — 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-20220009887-A1 CYANOARYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS TYR, CUTA, BRAF MAP2K1 469/4885MAP2K2 291/4885CYP2C9 573/4885
US-11572344-B2 Cyanoaryl-aniline compounds for treatment of dermal disorders TYR, CUTA, BRAF MAP2K1 469/4885MAP2K2 291/4885CYP2C9 573/4885

“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.

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