SCHEMBL311099

SCHEMBL311099

c1ccc(COc2nc3ccccc3c3[nH]cnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
DBF4 Q9UBU7 1/20 0.52
MGMT P16455 3/20 0.52
CYP3A4 P08684 2/20 0.52
LMNA P02545 2/20 0.52
PIN1 Q13526 2/20 0.52
CYP1A2 P05177 1/20 0.52
CDK1 P06493 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CCNB1 P14635 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
CCNA1 P78396 1/20 0.52
PMP22 Q01453 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL312251 0.85 CYP3A4 (0.49) CDC7DBF4MGMTCYP3A4LMNA
SCHEMBL1486424 0.83 SMN1; SMN2 (0.40) MGMTCYP3A4LMNAPIN1CYP1A2
SCHEMBL6104398 0.79 HTT (0.46) LMNAELANEHRH4
SCHEMBL17048300 0.77 PIN1 (0.49) CDC7DBF4MGMTCYP3A4LMNA
SCHEMBL2708235 0.76 CYP1A2 (0.38) CDC7DBF4MGMTCYP3A4LMNA
SCHEMBL29380177 0.75 DYRK1A (0.38)
SCHEMBL5350426 0.73 LMNA (0.44) LMNAPIN1CDK1CYP2D6TSHR
SCHEMBL17670057 0.72 JAK2 (0.40) L3MBTL1ELANE
SCHEMBL9076301 0.72 SMN1; SMN2 (0.41)
SCHEMBL487415 0.72 ALDH1A1 (0.44) CYP1A2CYP2C19

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
US-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 US disclosed
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
WO-2005066172-A1 PIPERAZINE, [1,4]DIAZEPANE, [1,4]DIAZOCANE, AND [1,5]DIAZOCANE FUSED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (5 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CDC7 787/4885DBF4 1008/4885MGMT 1076/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 CDC7 787/4885DBF4 1008/4885MGMT 1076/4885
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 CDC7 699/4885DBF4 1348/4885MGMT 4402/4885
US-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 CDC7 1772/4885DBF4 2037/4885MGMT 1929/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 CDC7 1772/4885DBF4 2037/4885MGMT 1929/4885

“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.