SCHEMBL656153

SCHEMBL656153

O=C(CCc1ccc(Cl)cc1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.55
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
DRD2 P14416 1/20 0.51
CTNNB1 P35222 4/20 0.48
WNT3A P56704 4/20 0.48
PDPK1 O15530 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HSD11B1 P28845 1/20 0.47
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 1/20 0.45
PARP1 P09874 1/20 0.45
GPR52 Q9Y2T5 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL17492459 0.86 GPR84 (0.58) GPR84F2F10PDPK1HSD11B1
SCHEMBL29579853 0.86 GPR52 (0.58) F2F10CTNNB1WNT3ACES2
SCHEMBL28128458 0.86 GPR52 (0.58) F2F10CTNNB1WNT3ACES2
SCHEMBL11697150 0.85 F2 (0.51) GPR84F2F10HSD11B1ALDH1A1
SCHEMBL17451340 0.82 PDPK1 (0.46) GPR84DRD2PDPK1CES2CES1
SCHEMBL17451363 0.82 PDPK1 (0.46) GPR84DRD2PDPK1CES2CES1
SCHEMBL658503 0.81 PDPK1 (0.73) GPR84PDPK1CES2CES1TSHR
SCHEMBL658504 0.81 PDPK1 (0.73) GPR84PDPK1CES2CES1TSHR
SCHEMBL658502 0.81 PDPK1 (0.73) GPR84PDPK1CES2CES1TSHR
SCHEMBL6202254 0.81 TP53 (0.59) GPR84DRD2NPC1RAB9ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB GPR84 3246/4885F2 4676/4885F10 3986/4885

“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.