SCHEMBL21157778

SCHEMBL21157778

C=CSc1c(C=C)ncc(NC(=O)C2CCCCCCCCC2)c1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
ABL1 P00519 2/20 0.38
CETP P11597 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PTPN11 Q06124 1/20 0.35
SHMT2 P34897 1/20 0.35
MAPT P10636 1/20 0.35
GSK3B P49841 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL18399595 0.88 TSHR (0.40) HDAC3HDAC1HDAC2ABL1CETP
SCHEMBL20368738 0.88 TSHR (0.40) HDAC3HDAC1HDAC2ABL1CETP
SCHEMBL19059705 0.88 TSHR (0.40) HDAC3HDAC1HDAC2ABL1CETP
SCHEMBL19059608 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC2ABL1CETP
SCHEMBL22018240 0.82 MAPK1 (0.36) HDAC3HDAC1HDAC2ABL1CETP
SCHEMBL18399528 0.81 MAPK1 (0.41) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22018432 0.77 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22853571 0.76 ABL1 (0.34) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22018173 0.75 MAPK1 (0.37) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL20368694 0.73 CCNT1 (0.42) HDAC3HDAC1HDAC2ABL1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2019-07-11 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 (1 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-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 HDAC3 487/4885HDAC1 359/4885HDAC2 532/4885

“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.