SCHEMBL4890255

SCHEMBL4890255

C=CCc1ccc(-c2ccc(C#N)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
CYP11B1 P15538 2/20 0.47
KDM1A O60341 1/20 0.43
P2RX3 P56373 1/20 0.39
MLNR O43193 1/20 0.39
GRM5 P41594 2/20 0.39
CTSC P53634 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10586609 0.91 CYP11B1 (0.48) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9637460 0.91 CYP11B1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9805327 0.82 CYP11B1 (0.51) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9021665 0.82 KDM4E (0.61) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL9798121 0.81 ALDH1A1 (0.36) L3MBTL1KDM4EALDH1A1HPGDCYP11B1
SCHEMBL9805468 0.80 CYP11B1 (0.49) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL7779660 0.80 TSHR (0.47) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL2352483 0.80 TSHR (0.47) ALDH1A1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL13986853 0.80 KDM4E (0.59) L3MBTL1KDM4EALDH1A1HPGDHTT
SCHEMBL29818872 0.80 KDM4E (0.54) L3MBTL1KDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465802-B2 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-12-16 US claimed
US-20080146813-A1 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-06-19 US claimed
US-20190181356-A1 ORGANOMETALLIC IRIDIUM COMPLEX, SYNTHETIC METHOD THEREOF, AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME FU JEN CATHOLIC UNIVERSITY (TW) 2019-06-13 US disclosed
US-7465802-B2 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-12-16 US disclosed
US-7465802-B2 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-12-16 US disclosed
US-7465802-B2 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-12-16 US disclosed
US-20080146813-A1 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-06-19 US disclosed
US-20080146813-A1 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-06-19 US disclosed
US-20080146813-A1 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system FU JEN CATHOLIC UNIVERSITY (TW) 2008-06-19 US disclosed
EP-0310676-A1 LIQUID-CRYSTAL DERIVATIVES OF 2,5-DISUBSTITUTED PYRIDINE AS COMPONENTS OF LIQUID-CRYSTAL MATERIAL, AND A LIQUID-CRYSTAL MATERIAL PAVLJUCHENKO, Assya Iosifovna (RU) 1989-04-12 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 (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-20080146813-A1 Grignard reagent (such as 4-alkylphenylmagnesium bromide) is added to a 3-cyanopyridinium salt (such as N-phenyloxycarbonyl-3-cyanopyridinium chloride) to get a 1,2-dihydropyridine which is oxidized with o-chloronil to obtain the 2-(4'-alkylphenyl)-5-cyanopyridine; display system CBR3, OCIAD2, OCIAD1 L3MBTL1 2373/4885KDM4E 1622/4885ALDH1A1 1257/4885
US-20190181356-A1 ORGANOMETALLIC IRIDIUM COMPLEX, SYNTHETIC METHOD THEREOF, AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TST, AOX1, HAT1 L3MBTL1 1352/4885KDM4E 4754/4885ALDH1A1 48/4885

“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.