SCHEMBL4989580

SCHEMBL4989580

CC1=C(C#N)C(c2cccc(C(=O)NCCC3CCCN3C)c2)C(C#N)=C(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
ACKR3 P25106 3/20 0.41
BRAF P15056 1/20 0.41
LCK P06239 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE4B Q07343 1/20 0.40
GABRA1 P14867 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL9888368 0.83 ITGB3 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4443160 0.82 ROCK2 (0.56)
SCHEMBL4995767 0.81 MET (0.42) EGLN1ACKR3GABRA1TMEM97
SCHEMBL4994434 0.80 SMN1; SMN2 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4999841 0.79 NOTCH1 (0.53) ADORA2A
SCHEMBL4999910 0.79 SMN1; SMN2 (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4999750 0.79 MAP4K4 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14198241 0.78 ACKR3 (0.53) ACKR3
SCHEMBL4988615 0.78 LMNA (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4441872 0.77 MAPT (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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 (1 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET EGLN1 1417/4885ADRA2A 3078/4885ADRA2B 2484/4885

“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.