SCHEMBL24988968

SCHEMBL24988968

CCCC(C)c1ccncc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
LATS1 O95835 1/20 0.32
RPS6KA3 P51812 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
SSTR4 P31391 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL23082973 0.87 LIMK1 (0.38) LIMK1LMNAMAPTMAPK1KDM4E
SCHEMBL22166106 0.87 AR (0.39) LIMK1SMN1; SMN2ALDH1A1LATS1RPS6KA3
SCHEMBL18019706 0.80 RPS6KA3 (0.34) LIMK1ALDH1A1LATS1RPS6KA3AAK1
SCHEMBL2737349 0.79 RPS6KA3 (0.42) LIMK1HTR2CALDH1A1LATS1RPS6KA3
SCHEMBL21783997 0.78 RPS6KA3 (0.40) LMNAMAPTMAPK1HTR2AHTR2C
SCHEMBL19406662 0.77 TDP1 (0.34) LIMK1LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26272363 0.76 RPS6KA3 (0.34) LIMK1ALDH1A1LATS1RPS6KA3AAK1
SCHEMBL21311456 0.76 P2RX7 (0.42) MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL16442475 0.76 P2RX7 (0.42) MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL19406631 0.76 KCNH2 (0.36) LIMK1LMNAALDH1A1SLC22A12

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-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 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-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 LIMK1 2526/4885LMNA 4686/4885MAPT 4384/4885

“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.