SCHEMBL873386

SCHEMBL873386

COc1ccc(Br)cc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
AMY1A P0DUB6 1/20 0.40
APP P05067 1/20 0.40
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2410034 0.92 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30697962 0.92 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL682486 0.88 MAPK1 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL131996 0.83 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL131870 0.82 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL20509 0.81 CA2 (0.56) KDM4ETDP1APPCA2SMN1; SMN2
SCHEMBL29419589 0.81 CA2 (0.56) KDM4ETDP1APPCA2SMN1; SMN2
SCHEMBL683180 0.80 KDM4E (0.42) KDM4ETDP1HTTAPPCA2
SCHEMBL1256865 0.79 CA2 (0.54) KDM4ETDP1APPCA2SMN1; SMN2
SCHEMBL10203281 0.78 RXRA (0.42) TDP1HTTCA2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
EP-2643315-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012071501-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR PDE4A 1609/4885PDE4B 1879/4885PDE4C 2285/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885

“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.