SCHEMBL16079388

SCHEMBL16079388

Cc1ncnc2c1NCCO2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 17/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ADRA2B P18089 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20422674 0.78 MAP4K1 (0.34) MAP4K1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL18237531 0.77 MAP4K1 (0.32) MAP4K1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL23022282 0.74 ADRA2A (0.39) MAP4K1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL29515886 0.74 ADRA2A (0.39) MAP4K1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL21334405 0.73 MAP4K1 (0.46) MAP4K1
SCHEMBL16079382 0.70 RET (0.45)
SCHEMBL20517531 0.70 MAP4K1 (0.44) MAP4K1
SCHEMBL31005741 0.70 MAP4K1 (0.50) MAP4K1
SCHEMBL22884682 0.70 MAP4K1 (0.39) MAP4K1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL21334406 0.69 MAP4K1 (0.44) MAP4K1

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 6 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US 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 (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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT MAP4K1 4386/4885ADRA2A 4425/4885ADRA2C 4635/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR MAP4K1 3107/4885ADRA2A 2520/4885ADRA2C 2696/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR MAP4K1 3107/4885ADRA2A 2520/4885ADRA2C 2696/4885

“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.