SCHEMBL21979482

SCHEMBL21979482

Cn1c(Nc2ccc(I)cc2F)c(C(=O)O)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 19/20 0.52
▸ MAP2K2 P36507 3/20 0.45
▸ IDO1 P14902 1/20 0.42

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 SCHEMBL28385113 0.99 MAP2K1 (0.51) MAP2K1MAP2K2IDO1
SCHEMBL30486894 0.92 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL21979513 0.92 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL21979487 0.91 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL30486892 0.91 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL21979485 0.90 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL30486890 0.90 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL29302070 0.90 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL29302065 0.89 MAP2K1 (0.44) MAP2K1MAP2K2
SCHEMBL22039968 0.87 MAP2K1 (0.48) 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
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
CN-111065393-B Pyrrolopyridine-anilines for the treatment of skin disorders 恩福莱克逊治疗有限公司 2023-08-18 — — CN 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
CN-113660931-A Arylaniline and heteroarylaniline compounds for the treatment of skin cancer 恩福莱克逊治疗有限公司 2021-11-16 — — CN disclosed
CN-113645964-A Arylaniline and heteroarylaniline compounds for use in fetal marker therapy 恩福莱克逊治疗有限公司 2021-11-12 — — CN 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
CN-111065393-A Pyrrolopyridine-anilines for the treatment of skin diseases 恩福莱克逊治疗有限公司 2020-04-24 — — CN 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 3533/4885IDO1 623/4885
US-20200165243-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MAP2K1 434/4885MAP2K2 265/4885IDO1 347/4885
US-11161845-B2 Pyrrolopyridine-aniline compounds for treatment of dermal disorders POLR1C, TYR, PAH MAP2K1 435/4885MAP2K2 263/4885IDO1 328/4885
US-20220033399-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MAP2K1 470/4885MAP2K2 286/4885IDO1 310/4885

“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.

Send feedback