SCHEMBL3753346

SCHEMBL3753346

CC1=C(C#N)C(C)C(C#N)=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
HPGD P15428 4/20 0.49
CASP1 P29466 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 3/20 0.42
MET P08581 2/20 0.38
RPS6KA3 P51812 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.31
GAA P10253 2/20 0.31
FFAR3 O14843 1/20 0.31

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
SCHEMBL9909102 0.81 ALDH1A1 (0.41) ALDH1A1HPGDCASP1HSD17B10HTT
SCHEMBL7817348 0.72 MET (0.59) ALDH1A1HPGDCASP1HSD17B10KDM4E
SCHEMBL14580923 0.71
SCHEMBL9909095 0.71 ALDH1A1 (0.44) ALDH1A1HPGDCASP1HSD17B10HTT
SCHEMBL9906911 0.69 ALDH1A1 (0.35) ALDH1A1HPGDCASP1HSD17B10HTT
SCHEMBL18413331 0.69 KDM4E (0.30) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL7820657 0.68 KDM4E (0.61) ALDH1A1HPGDCASP1HSD17B10KDM4E
SCHEMBL8645927 0.63 LMNA (0.31) ALDH1A1HPGDCASP1HSD17B10HTT
SCHEMBL12433065 0.63 LMNA (0.34) ALDH1A1HPGDHSD17B10HTTKDM4E
SCHEMBL11792839 0.59 ALDH1A1 (0.42) ALDH1A1HSD17B10HTTKDM4EMAPT

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-0578177-B1 Heat-resistant negative photoresist composition, photosensitive substrate, and process for forming negative pattern NITTO DENKO CORP (JP) 1997-03-05 EP claimed
EP-0578177-A2 Heat-resistant negative photoresist composition, photosensitive substrate, and process for forming negative pattern NITTO DENKO CORPORATION (JP) 1994-01-12 EP claimed
US-8728705-B2 Negative photosensitive material, photosensitive board employing the negative photosensitive material, and negative pattern forming method NITTO DENKO CORPORATION (JP) 2014-05-20 US disclosed
US-20130118788-A1 POLYIMIDE PRECURSOR COMPOSITION, AND WIRING CIRCUIT BOARD EMPLOYING THE COMPOSITION NITTO DENKO CORPORATION (JP) 2013-05-16 US disclosed
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-20100304298-A1 NEGATIVE PHOTOSENSITIVE MATERIAL, PHOTOSENSITIVE BOARD EMPLOYING THE NEGATIVE PHOTOSENSITIVE MATERIAL, AND NEGATIVE PATTERN FORMING METHOD NITTO DENKO CORPORATION (JP) 2010-12-02 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
US-5851736-A Heat-resistant photoresist composition, photosensitive substrate, and process for forming heat-resistant positive or negative pattern NITTO DENKO CORPORATION (JP) 1998-12-22 US disclosed
EP-0578177-B1 Heat-resistant negative photoresist composition, photosensitive substrate, and process for forming negative pattern NITTO DENKO CORP (JP) 1997-03-05 EP disclosed
EP-0578177-A2 Heat-resistant negative photoresist composition, photosensitive substrate, and process for forming negative pattern NITTO DENKO CORPORATION (JP) 1994-01-12 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 (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 ALDH1A1 1341/4885HPGD 2338/4885CASP1 3706/4885

“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.