SCHEMBL16623513

SCHEMBL16623513

O=c1[nH]ccc2c1c(-c1ccc(S)cc1)cn2C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.38
EGFR P00533 6/20 0.38
ABL1 P00519 5/20 0.38
ABL2 P42684 5/20 0.38
BRD9 Q9H8M2 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL16623514 0.90 BRD9 (0.39) SRCEGFRABL1ABL2BRD9
SCHEMBL16623437 0.90 BRD9 (0.39) SRCEGFRABL1ABL2BRD9
SCHEMBL16726643 0.89 GSK3B (0.40) SRCBRD9LCKTEKJAK2
SCHEMBL16610617 0.87 SRC (0.46) SRCEGFRABL1ABL2BRD9
SCHEMBL25066212 0.86 SRC (0.45) SRCEGFRABL1ABL2ALDH1A1
SCHEMBL16623549 0.85 LCK (0.38) SRCBRD9LCKFYNKDR
SCHEMBL18052578 0.84 SRC (0.38) SRCEGFRABL1ABL2BRD9
SCHEMBL16611244 0.83 JAK2 (0.43) SRCEGFRABL1ABL2BRD9
SCHEMBL16623539 0.83 BRD9 (0.32) BRD9JAK2JAK1
SCHEMBL16611188 0.81 ALDH1A1 (0.38) SRCEGFRABL1ABL2BRD9

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 SRC 1557/4885EGFR 4532/4885ABL1 1046/4885

“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.