SCHEMBL17447124

SCHEMBL17447124

COC(=O)c1ccc2c(C(F)(F)F)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KIF11 P52732 2/20 0.49
RAB9A P51151 2/20 0.48
NOTUM Q6P988 1/20 0.47
PARP1 P09874 3/20 0.46
DYRK1A Q13627 1/20 0.45
CSNK2A1 P68400 1/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 1/20 0.43
MAPK6 Q16659 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
FLT3 P36888 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL17205475 0.89 KDM4E (0.50) MAP2K4KDM4EALDH1A1LMNAHTT
SCHEMBL30204409 0.89 KDM4E (0.50) MAP2K4KDM4EALDH1A1LMNAHTT
SCHEMBL4403664 0.84 MAP2K4 (0.46) MAP2K4ALDH1A1KIF11DYRK1AMAPK1
SCHEMBL2671163 0.82 MAP2K4 (0.57) MAP2K4PARP1DYRK1ACSNK2A1MAPK1
SCHEMBL4153421 0.82 MAP2K4 (0.44) MAP2K4KDM4EALDH1A1LMNAHTT
SCHEMBL31750236 0.80 MAP2K4 (0.56) MAP2K4KDM4EALDH1A1LMNAHTT
SCHEMBL4404846 0.80 MAP2K4 (0.56) MAP2K4KDM4EALDH1A1KIF11RAB9A
SCHEMBL2671565 0.80 MAP2K4 (0.59) MAP2K4KDM4EALDH1A1LMNAHTT
SCHEMBL30159687 0.80 MAP2K4 (0.56) MAP2K4KDM4EALDH1A1KIF11RAB9A
SCHEMBL1501576 0.80 MAP2K4 (0.56) MAP2K4KDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2019-08-27 US disclosed
US-20170065603-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-20170065603-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
US-9546158-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2017-01-17 US disclosed
US-20160016938-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008590-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS Grünenthal GmbH (DE) 2016-01-21 WO disclosed
US-20160016938-A1 Novel 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-01-21 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 (3 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-20170065603-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 MAP2K4 3768/4885KDM4E 1006/4885ALDH1A1 337/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 MAP2K4 3768/4885KDM4E 1006/4885ALDH1A1 337/4885
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 MAP2K4 1949/4885KDM4E 801/4885ALDH1A1 334/4885

“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.