SCHEMBL556899

SCHEMBL556899

OC1CCN(c2ncc[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ABL1 P00519 2/20 0.39
CHUK O15111 1/20 0.39
PDE10A Q9Y233 5/20 0.38
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
F2RL1 P55085 3/20 0.36
HIPK2 Q9H2X6 1/20 0.36
KCNMA1 Q12791 1/20 0.35
AOC3 Q16853 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34

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
SCHEMBL558051 0.85 HIPK2 (0.40) ABL1PDE10AF2RL1HIPK2
SCHEMBL6403188 0.79 HIPK2 (0.36) F2RL1HIPK2
SCHEMBL6281359 0.75 AKT2 (0.49) HIPK2ROCK2ROCK1CDC42BPB
SCHEMBL300491 0.71 ALOX15 (0.41) LMNAHTTF2RL1HIPK2
SCHEMBL3434283 0.71 PBK (0.58)
SCHEMBL30743834 0.71 KDM4E (0.53) LMNAHTTPDE10AAOC3
SCHEMBL5485755 0.71 KDM4E (0.53) LMNAHTTPDE10AAOC3
SCHEMBL29952582 0.70 HIPK2 (0.35) F2RL1HIPK2ROCK2ROCK1CDC42BPB
Hydrochloric Acid SCHEMBL29956711 0.70 HIPK2 (0.37) F2RL1HIPK2
SCHEMBL311710 0.70 BCHE (0.42) LMNAHTTF2RL1HIPK2

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
US-8859583-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-10-14 US disclosed
US-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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 (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-20120035153-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 LMNA 2695/4885HTT 3116/4885ABL1 1/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 LMNA 3637/4885HTT 2665/4885ABL1 1401/4885

“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.