SCHEMBL720492

SCHEMBL720492

COCc1nn(-c2cccc(C(F)(F)F)n2)cc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 2/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NR4A2 P43354 1/20 0.38
ACACB O00763 4/20 0.38
P2RX7 Q99572 1/20 0.38
BRD4 O60885 1/20 0.38
PHGDH O43175 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL718692 0.81 IRAK4 (0.41) IRAK4DRD2DRD3HTR1ADRD4
SCHEMBL27834195 0.81 IRAK4 (0.37) IRAK4PHGDHFLT3
SCHEMBL719035 0.81 ACACB (0.35) IRAK4DRD2DRD3HTR1ADRD4
SCHEMBL718902 0.77 MAPT (0.44)
SCHEMBL719678 0.76 CFTR (0.41) ACACB
SCHEMBL17440773 0.75 IRAK4 (0.40) IRAK4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL717852 0.74 MAPT (0.64) NR4A2BRD4
SCHEMBL718337 0.73 DRD3 (0.36) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL719984 0.73 ALDH1A1 (0.46)
SCHEMBL718353 0.71 KMT2A (0.52)

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
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IRAK4 3062/4885DRD2 3602/4885DRD3 3431/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IRAK4 3062/4885DRD2 3602/4885DRD3 3431/4885

“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.