SCHEMBL4480460

SCHEMBL4480460

Brc1ccc(-c2ccccn2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
KDM4E B2RXH2 6/20 0.52
LMNA P02545 4/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
CNR2 P34972 1/20 0.51
MAPT P10636 3/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL21494145 0.83 KDM4E (0.64) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL1068961 0.83 KDM4E (0.64) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL18662238 0.82 CCR1 (0.51) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL1303807 0.82 NPY5R (0.42) CYP2A6KDM4ELMNAMETAP1HIF1A
SCHEMBL1004089 0.81 TP53 (0.42) CYP2A6KDM4ELMNACYP1A2POLB
SCHEMBL30989133 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL30989132 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL1566968 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL22419985 0.79 CYP2A6 (0.62) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL2175493 0.79 CYP2A6 (0.57) CYP2A6KDM4ELMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693077-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-06-23 US disclosed
US-10483468-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-19 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159045-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159045-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 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 (4 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-10693077-B2 Compound and organic electronic device using the same SOD1, SCO2, RCOR3 CYP2A6 1142/4885KDM4E 626/4885LMNA 4698/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R CYP2A6 341/4885KDM4E 1967/4885LMNA 3094/4885
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SOD1, SCO2, RCOR3 CYP2A6 1142/4885KDM4E 626/4885LMNA 4698/4885
US-10483468-B2 Compound and organic electronic device using the same ORC3, RBX1, CBX3 CYP2A6 1506/4885KDM4E 658/4885LMNA 4414/4885

“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.