SCHEMBL4608566

SCHEMBL4608566

COC(=O)C/C(C)=C/C#N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
LMNA P02545 1/20 0.31
TET2 Q6N021 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4608567 1.00 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL6246474 0.82 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL6246476 0.82 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL19066925 0.80 CTSK (0.33) ALDH1A1
SCHEMBL19066926 0.80 CTSK (0.33) ALDH1A1
SCHEMBL1762775 0.80 GAA (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL19066916 0.77
SCHEMBL19066917 0.77
SCHEMBL6965002 0.76
SCHEMBL12593429 0.75 MGAM (0.38) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945216-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-4288438-A Nitrogen-containing heterocyclic ring derivatives and analgesic and anti-inflammatory compositions and methods employing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US disclosed
US-4284778-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4251533-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4186200-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-01-29 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A MGAM 4006/4885GAA 2693/4885SI 3007/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 MGAM 2435/4885GAA 2273/4885SI 3717/4885

“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.