SCHEMBL16078985

SCHEMBL16078985

Cc1sc2cc(F)ccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KAT2B Q92831 1/20 0.39
MPI P34949 7/20 0.39
PHOSPHO1 Q8TCT1 5/20 0.39
PMM2 O15305 4/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
G6PD P11413 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2614663 0.83 CYP17A1 (0.42) MPIPHOSPHO1PMM2RAB9AG6PD
SCHEMBL13810651 0.83 BCKDK (0.42) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL13809848 0.80 BCKDK (0.47) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL12310725 0.80 BCKDK (0.56) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL16284423 0.80 BCKDK (0.40) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL13713801 0.78 BCL2L1 (0.44) ALDH1A1LMNAMAPTRAB9AKDM4E
SCHEMBL16075899 0.77 BCKDK (0.38) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL12922994 0.77 BCKDK (0.38) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL16284427 0.76 BCKDK (0.41) BCKDKALDH1A1LMNAMAPTPOLB
SCHEMBL12095255 0.76 BCKDK (0.41) BCKDKALDH1A1LMNAMAPTPOLB

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-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 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-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 BCKDK 4303/4885ALDH1A1 1457/4885LMNA 4748/4885

“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.