SCHEMBL17447229

SCHEMBL17447229

Cc1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
ESR1 P03372 3/20 0.39
PLK1 P53350 1/20 0.37
GRIN2B Q13224 7/20 0.37
SPR P35270 1/20 0.36
PDE4B Q07343 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 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
SCHEMBL17447223 0.85 NPC1 (0.44) FFAR4PLK1
SCHEMBL17447114 0.84 FFAR4 (0.42) FFAR4GRIN2BSPRPDE4B
SCHEMBL17447180 0.82 NPC1 (0.41) FFAR4PDE4B
SCHEMBL28481846 0.79 PLK1 (0.33) FFAR4PLK1GRIN2BSPRPDE4B
SCHEMBL17447195 0.78 FFAR4 (0.37) FFAR4PLK1GRIN2BSPR
SCHEMBL17439511 0.77 PDE4B (0.59) GRIN2BPDE4B
SCHEMBL18578830 0.73 PDE4B (0.33) FFAR4GRIN2BPDE4B
SCHEMBL17447197 0.72 KHK (0.39)
SCHEMBL17447189 0.71 KHK (0.45) PDE4B
SCHEMBL28484504 0.71 CYP11B2 (0.44) GRIN2BPDE4BCYP19A1CYP2C9CYP11B1

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
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

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 FFAR4 712/4885ESR1 4505/4885PLK1 939/4885
US-20160016938-A1 Novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 FFAR4 712/4885ESR1 4505/4885PLK1 939/4885
US-10391099-B2 Method of treating psoriatic arthritis, psoriasis, and chronic obstructive pulmonary disease with a novel 2,5-substituted pyrimidines PDE4B, PDE4A, PDE12 FFAR4 591/4885ESR1 4672/4885PLK1 579/4885

“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.