SCHEMBL29908901

SCHEMBL29908901

CN1CCN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 19/20 0.81
MAP2K1 Q02750 19/20 0.81
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
BRAF P15056 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
ACTR3 P61158 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KCNH2 Q12809 1/20 0.57
PIM1 P11309 1/20 0.53
CAMK2B Q13554 1/20 0.53

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
SCHEMBL16579974 1.00 MAP2K2 (0.81) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL16571607 0.90 MAP2K1 (0.83) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL187560 0.90 MAP2K1 (1.00) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL29413423 0.90 MAP2K1 (1.00) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL17974842 0.89 MAP2K1 (0.93) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL23398084 0.88 MAP2K2 (0.62) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL16571767 0.87 MAP2K1 (0.81) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL16579968 0.87 MAP2K1 (0.81) MAP2K2MAP2K1CHRM2CHRM1BRAF
Hydrochloric Acid SCHEMBL16571619 0.86 MAP2K1 (0.80) MAP2K2MAP2K1CHRM2CHRM1BRAF
Hydrochloric Acid SCHEMBL29908904 0.86 MAP2K1 (0.80) MAP2K2MAP2K1CHRM2CHRM1BRAF

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-20230100458-A1 NOVEL ANTHRANILIC AMIDES AND THE USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-30 US disclosed
US-11465978-B2 Anthranilic amides and the use thereof THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2022-10-11 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-20230100458-A1 NOVEL ANTHRANILIC AMIDES AND THE USE THEREOF API5, MAPKAPK5, MAP3K5 MAP2K2 144/4885MAP2K1 315/4885CHRM2 3742/4885
US-11465978-B2 Anthranilic amides and the use thereof MAPKAPK5, MAP3K5, API5 MAP2K2 149/4885MAP2K1 301/4885CHRM2 3680/4885

“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.