SCHEMBL19304403

SCHEMBL19304403

CCC(C)c1sc2cc(F)ccc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCKDK O14874 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TLR3 O15455 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ GPER1 Q99527 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL12263159 0.84 BCKDK (0.51) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL13520203 0.78 ALOX5 (0.51) RAB9AKDM4ESMN1; SMN2HPGDMAPT
SCHEMBL14154414 0.73 — —
SCHEMBL12678220 0.72 BCKDK (0.38) BCKDKRAB9AKDM4EALOX5
SCHEMBL12310725 0.72 BCKDK (0.56) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL31053344 0.71 BCKDK (0.46) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL31053377 0.71 BCKDK (0.45) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL31053357 0.71 BCKDK (0.45) BCKDKSENP1RAB9AKDM4ETLR3
SCHEMBL16075899 0.69 BCKDK (0.38) BCKDKRAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL13659611 0.69 BCKDK (0.68) BCKDKSENP1RAB9AKDM4ETLR3

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-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 — — US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 — — 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-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 BCKDK 4303/4885SENP1 2339/4885RAB9A 708/4885

“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.

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