SCHEMBL4999910

SCHEMBL4999910

CC1=C(C#N)C(c2cccc(C(=O)NCCCN3CCOCC3)c2)C(C#N)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
GAA P10253 2/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
MAPK14 Q16539 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL4994434 0.83 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL4988615 0.81 LMNA (0.46) SMN1; SMN2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL4441894 0.80 MEN1 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4989580 0.79 EGLN1 (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4441872 0.79 MAPT (0.47) SMN1; SMN2ALDH1A1GAAMEN1RAB9A
SCHEMBL4999750 0.78 MAP4K4 (0.43) SMN1; SMN2KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL27780409 0.78 CYP1A2 (0.44) SMN1; SMN2KDM4EALDH1A1ADRA2AADRA2B
SCHEMBL10192030 0.77 ALDH1A1 (0.70) SMN1; SMN2KDM4EALDH1A1GAACYP2C9
SCHEMBL9888368 0.77 ITGB3 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4443160 0.76 ROCK2 (0.56) KDM4EALDH1A1GAA

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 SMN1; SMN2 1841/4885KDM4E 1582/4885ALDH1A1 1341/4885

“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.