SCHEMBL2138668

SCHEMBL2138668

COc1ccc(N2CCN(CC(=O)N3CCOCC3)[C@@H](Cc3ccccc3)C2)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PDE4B Q07343 13/20 0.40
▸ PDE11A Q9HCR9 8/20 0.40
▸ PDE10A Q9Y233 7/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BRCA1 P38398 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL2138674 1.00 IRAK4 (0.40) IRAK4FLT3PDE4BPDE11APDE10A
SCHEMBL683076 0.89 ALDH1A1 (0.39) IRAK4FLT3ALDH1A1HTTKDM4E
SCHEMBL682935 0.89 PDE4B (0.41) PDE4BPDE11APDE10AALDH1A1KDM4E
SCHEMBL873395 0.89 PDE4B (0.41) PDE4BPDE11APDE10AALDH1A1KDM4E
SCHEMBL873715 0.89 PDE4B (0.41) PDE4BPDE11APDE10AALDH1A1KDM4E
SCHEMBL683081 0.89 PDE4B (0.41) PDE4BPDE11APDE10AALDH1A1KDM4E
SCHEMBL873766 0.88 PDE4B (0.42) PDE4BPDE11APDE10A
SCHEMBL682661 0.88 PDE4B (0.42) PDE4BPDE11APDE10A
SCHEMBL682941 0.86 PDE4B (0.41) PDE4BPDE11APDE10A
SCHEMBL874160 0.86 PDE4B (0.41) PDE4BPDE11APDE10A

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-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 — — US claimed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 — — US disclosed
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-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-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 — — US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 — — US 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 (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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D IRAK4 96/4885FLT3 2861/4885PDE4B 2/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D IRAK4 96/4885FLT3 2861/4885PDE4B 2/4885

“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.

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