SCHEMBL16079387

SCHEMBL16079387

Cc1ncnc2c1OCCC2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD1 P21728 1/20 0.32

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
SCHEMBL19977315 0.77 ATM (0.33) ATMTDP1
SCHEMBL18949699 0.72 ATM (0.37) ATMTDP1
SCHEMBL15444691 0.71 ATM (0.39) ATMTDP1
SCHEMBL16079386 0.69 DGAT1 (0.32)
SCHEMBL17066440 0.69 ACHE (0.39) DRD1
SCHEMBL31168442 0.69 ATM (0.33) ATMTDP1
SCHEMBL19153853 0.68 NOS3 (0.35) ATMTDP1
SCHEMBL16079383 0.67 KDM4E (0.45) TDP1DRD1
SCHEMBL1586120 0.67 DRD1 (0.48) DRD1
SCHEMBL16019500 0.66 APLNR (0.38) ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ATM 3497/4885TDP1 2173/4885DRD1 1094/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ATM 3497/4885TDP1 2173/4885DRD1 1094/4885

“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.