SCHEMBL16623447

SCHEMBL16623447

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
EPHX2 P34913 1/20 0.40
JAK2 O60674 5/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
JAK1 P23458 2/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 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
SCHEMBL16623460 0.88 JAK1 (0.36) JAK2JAK1
SCHEMBL16726651 0.86 NPC1 (0.41) EPHX2JAK2ALDH1A1NPC1RAB9A
SCHEMBL16726650 0.86 TAS1R3 (0.40) EPHX2MEN1KMT2AHTT
SCHEMBL16623521 0.86 JAK1 (0.39) JAK2NPC1RAB9AGAAJAK1
SCHEMBL16623454 0.86 FAAH (0.40) EPHX2JAK2JAK1
SCHEMBL18052589 0.84 NPC1 (0.43) GRM5ALDH1A1NPC1RAB9AMEN1
SCHEMBL17849198 0.84 GRM5 (0.38) GRM5JAK2NPC1RAB9AKMT2A
SCHEMBL16623455 0.84 JAK1 (0.33) JAK2GAAJAK1
SCHEMBL16726666 0.81 BRD4 (0.33) JAK2JAK1
SCHEMBL16623585 0.81 EPHX2 (0.35) EPHX2ALDH1A1JAK1

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 GRM5 2391/4885EPHX2 4707/4885JAK2 1/4885

“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.