SCHEMBL16611359

SCHEMBL16611359

N#Cc1c[nH]c(=O)c2c(-c3cnn(C4CCCC4)c3)cn(C3CCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.42
ACVRL1 P37023 7/20 0.38
ACVR1 Q04771 7/20 0.38
BMPR1A P36894 6/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP3A5 P20815 2/20 0.37
CYP3A7 P24462 2/20 0.37
CYP2C19 P33261 2/20 0.37
PDK4 Q16654 2/20 0.37
CYP3A43 Q9HB55 2/20 0.37
PAK1 Q13153 1/20 0.35
XDH P47989 2/20 0.35
JAK2 O60674 1/20 0.34
TNIK Q9UKE5 1/20 0.34
KDM5B Q9UGL1 2/20 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
SCHEMBL16610735 0.99 KDM5A (0.42) KDM5AACVRL1ACVR1BMPR1ACYP1A2
SCHEMBL16611405 0.90 BMPR1A (0.38) KDM5AACVRL1ACVR1BMPR1AXDH
SCHEMBL16611071 0.86 JAK1 (0.35) KDM5AACVRL1ACVR1BMPR1AXDH
SCHEMBL16610767 0.84 MTOR (0.36) KDM5AXDHJAK2
SCHEMBL16611490 0.84 KDM5A (0.42) KDM5AXDHJAK2KDM5B
SCHEMBL16611308 0.83 ALK (0.35) ACVRL1ACVR1BMPR1AXDHJAK2
SCHEMBL16610802 0.83 SRC (0.41) KDM5ACYP1A2CYP3A4CYP2C19XDH
SCHEMBL16611598 0.82 XDH (0.38) KDM5AXDH
SCHEMBL16611028 0.79 LRRK2 (0.42) XDH
SCHEMBL16610742 0.78 XDH (0.37) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 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
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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM5A 132/4885ACVRL1 961/4885ACVR1 663/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM5A 132/4885ACVRL1 961/4885ACVR1 663/4885

“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.