SCHEMBL24374440

SCHEMBL24374440

CCN1CCN(Cc2ccc(CNc3nc4ccc(Oc5ccnc(NC(C)=O)c5)cc4n3C)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.56
MKNK2 Q9HBH9 7/20 0.56
MKNK1 Q9BUB5 5/20 0.56
BCR P11274 4/20 0.56
BRAF P15056 8/20 0.48
LCK P06239 1/20 0.48
NTRK1 P04629 1/20 0.47
TEK Q02763 1/20 0.47
NTRK2 Q16620 1/20 0.47
SRC P12931 3/20 0.46
CYP3A4 P08684 1/20 0.45
RET P07949 1/20 0.44

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
SCHEMBL24007134 0.89 ABL1 (0.60) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24374421 0.84 BRAF (0.68) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24007593 0.82 ABL1 (0.58) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24007716 0.81 ABL1 (0.57) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL23795596 0.81 ABL1 (0.57) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24007717 0.81 ABL1 (0.57) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL26007840 0.80 BRAF (0.59) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24007130 0.80 BRAF (0.61) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL23795601 0.80 BRAF (0.56) ABL1MKNK2MKNK1BCRBRAF
SCHEMBL24007133 0.79 ABL1 (0.55) ABL1MKNK2MKNK1BCRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20220127246-A1 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 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 (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-20220127246-A1 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ABL1 18/4885MKNK2 585/4885MKNK1 672/4885
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 ABL1 18/4885MKNK2 585/4885MKNK1 672/4885

“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.