SCHEMBL21979505

SCHEMBL21979505

COc1cnc2c(c1)c(C(=O)O)c(Nc1ccc(I)cc1F)n2C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.48
▸ MAP2K2 P36507 3/20 0.42
▸ FLT1 P17948 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MAP2K5 Q13163 1/20 0.39
▸ EIF2AK1 Q9BQI3 1/20 0.39

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
Hydrochloric Acid SCHEMBL28385111 0.99 MAP2K1 (0.48) MAP2K1MAP2K2FLT1IDO1MAP2K5
SCHEMBL30486884 0.91 MAP2K1 (0.44) MAP2K1MAP2K2FLT1MAP2K5EIF2AK1
SCHEMBL21979490 0.91 MAP2K1 (0.44) MAP2K1MAP2K2FLT1MAP2K5EIF2AK1
SCHEMBL22039975 0.88 MAP2K1 (0.42) MAP2K1MAP2K2FLT1MAP2K5EIF2AK1
SCHEMBL30486891 0.88 MAP2K1 (0.42) MAP2K1MAP2K2FLT1MAP2K5EIF2AK1
SCHEMBL29376483 0.88 MAP2K1 (0.42) MAP2K1MAP2K2FLT1MAP2K5EIF2AK1
SCHEMBL21979498 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL30486893 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL21979482 0.82 MAP2K1 (0.52) MAP2K1MAP2K2IDO1
Hydrochloric Acid SCHEMBL28385113 0.81 MAP2K1 (0.51) MAP2K1MAP2K2IDO1

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
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-20220033399-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-02-03 — — US disclosed
US-11161845-B2 Pyrrolopyridine-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2021-11-02 — — US disclosed
US-20200165243-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2020-05-28 — — 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-20200165243-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MAP2K1 434/4885MAP2K2 265/4885FLT1 1307/4885
US-11161845-B2 Pyrrolopyridine-aniline compounds for treatment of dermal disorders POLR1C, TYR, PAH MAP2K1 435/4885MAP2K2 263/4885FLT1 1278/4885
US-20220033399-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MAP2K1 470/4885MAP2K2 286/4885FLT1 1300/4885

“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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