SCHEMBL2434679

SCHEMBL2434679

N#Cc1ccc(-c2cc[c]cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
KDM1A O60341 2/20 0.46
GRM5 P41594 6/20 0.45
EGLN2 Q96KS0 1/20 0.44
CYP11B1 P15538 1/20 0.41
KCNH2 Q12809 1/20 0.40
P2RX7 Q99572 1/20 0.37
P2RX3 P56373 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL9021665 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL13986853 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9022425 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9024311 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL3415023 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL31172969 0.81 GRM5 (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL995794 0.81 GRM5 (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL17116615 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL31108745 0.81 GRM5 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL5145719 0.81 GRM5 (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT

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
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN claimed
CN-102209710-A Pyrrolidines PFIZER LTD 2011-10-05 CN claimed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP claimed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO claimed
US-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME JNC CORPORATION (JP) 2017-02-02 US disclosed
CN-102209710-A Pyrrolidines PFIZER LTD 2011-10-05 CN disclosed
EP-2364296-A1 PYRROLIDINES Pfizer Limited (GB) 2011-09-14 EP disclosed
WO-2010052625-A1 PYRROLIDINES PFIZER LIMITED (GB) 2010-05-14 WO disclosed
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 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-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC26A3, SLC9A1, HVCN1 KDM4E 1450/4885ALDH1A1 1009/4885HPGD 3256/4885

“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.