SCHEMBL5740490

SCHEMBL5740490

Cc1c(C#N)c(N)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
LRRK2 Q5S007 2/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 2/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 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
SCHEMBL11543788 0.80 LMNA (0.41) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL4354498 0.77 ALDH1A1 (0.41) LMNAALDH1A1KDM4EPOLBHPGD
SCHEMBL11546547 0.75 LMNA (0.51) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL18703640 0.74 ALDH1A1 (0.38) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL13184169 0.74 LMNA (0.55) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL11549662 0.74 LRRK2 (0.46) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL16446184 0.74 LMNA (0.38) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL7922166 0.74 LMNA (0.41) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL18703643 0.71 RECQL (0.41) LMNAHTTALDH1A1KDM4EPOLB
SCHEMBL24013956 0.70 ALDH1A1 (0.34) LMNAHTTALDH1A1KDM4EPOLB

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-9751865-B2 Dihydro-hydantoin derivatives with herbicidal activity SYNGENTA LIMITED (GB) 2017-09-05 US disclosed
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY SYNGENTA LIMITED (GB) 2016-11-03 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160159819-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-09 US disclosed
US-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US disclosed
EP-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 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 (4 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-20160168126-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 LMNA 3953/4885HTT 1182/4885ALDH1A1 326/4885
US-20160318906-A1 DIHYDRO-HYDANTOIN DERIVATIVES WITH HERBICIDAL ACTIVITY RDX, DDT, CBR3 LMNA 3797/4885HTT 324/4885ALDH1A1 96/4885
US-20160159819-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 LMNA 3715/4885HTT 1432/4885ALDH1A1 237/4885
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI LMNA 678/4885HTT 2916/4885ALDH1A1 1375/4885

“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.