SCHEMBL16623455

SCHEMBL16623455

N=C(c1cccc(SN)c1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.33
JAK2 O60674 6/20 0.33
BRD4 O60885 2/20 0.33
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
PRKAA1 Q13131 2/20 0.32
NUAK1 O60285 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT3 P36888 1/20 0.32
BRSK1 Q8TDC3 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
ROCK2 O75116 2/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL18052579 0.86 JAK1 (0.37) JAK1JAK2BRD4TYK2JAK3
SCHEMBL16623454 0.85 FAAH (0.40) JAK1JAK2
SCHEMBL16623460 0.85 JAK1 (0.36) JAK1JAK2BRD4TYK2JAK3
SCHEMBL16623447 0.84 GRM5 (0.42) JAK1JAK2GAA
SCHEMBL16623521 0.83 JAK1 (0.39) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL17849198 0.81 GRM5 (0.38) JAK1JAK2BRD4
SCHEMBL18052589 0.81 NPC1 (0.43) GAALMNA
SCHEMBL16726650 0.81 TAS1R3 (0.40) MAPTLMNA
SCHEMBL16623585 0.81 EPHX2 (0.35) JAK1BRD4MAPTLMNA
SCHEMBL18052604 0.80 JAK1 (0.34) JAK1JAK2TYK2JAK3PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885BRD4 24/4885

“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.