SCHEMBL4993397

SCHEMBL4993397

O=C(OC(=O)C(F)(F)F)c1cc(-c2ccnc(C=Cc3ccccc3)c2)nn1CCCNCCc1ccc(Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
MAPKAPK2 P49137 5/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
PLAAT3 P53816 1/20 0.30
PLAAT5 Q96KN8 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
Trifluoroacetic Acid SCHEMBL4993407 0.90 HTR5A (0.36) HTR5AHTR1ADRD2DRD4HTR1D
Trifluoroacetic Acid SCHEMBL4993386 0.90 HTR5A (0.36) HTR5AHTR1ADRD2DRD4HTR1D
SCHEMBL14188295 0.88 MAPKAPK2 (0.39) MAPKAPK2MAPK1PLAAT3PLAAT5PLAAT2
SCHEMBL4997308 0.88 SMN1; SMN2 (0.43) MAPKAPK2MEN1MAPTKMT2A
SCHEMBL4997314 0.88 SMN1; SMN2 (0.43) MAPKAPK2MEN1MAPTKMT2A
SCHEMBL4718569 0.82 MAPKAPK2 (0.45) MAPKAPK2MAPTMAPK1
SCHEMBL27619923 0.82 MAPKAPK2 (0.45) MAPKAPK2MAPTMAPK1
SCHEMBL6793893 0.76 AURKA (0.30)
SCHEMBL14188401 0.71 MARS1 (0.42) MAPKAPK2MAPT
SCHEMBL6792172 0.71 AURKA (0.32) HTR5AHTR1ADRD2DRD4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 HTR5A 2937/4885HTR1A 3754/4885DRD2 4306/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 HTR5A 2334/4885HTR1A 3015/4885DRD2 3916/4885

“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.