SCHEMBL17896362

SCHEMBL17896362

Cc1cccc(C2CCN(C(C)C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
DRD4 P21917 10/20 0.47
HTR1A P08908 9/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 1/20 0.47
MAP4K4 O95819 1/20 0.46
KDM5A P29375 1/20 0.46
KCNH2 Q12809 4/20 0.45
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HTR4 Q13639 2/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL17896370 0.82 DRD2 (0.49) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL17888476 0.81 DRD2 (0.53) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL1610517 0.80 CCR1 (0.52) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL14240402 0.80 MAP4K4 (0.51) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL18965245 0.79 DRD4 (0.52) DRD2DRD4HTR1AKCNH2IDO1
SCHEMBL17886956 0.77 DRD2 (0.53) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL15087991 0.77 CCR1 (0.48) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL2757250 0.77 CCR1 (0.48) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL8056158 0.75 DRD2 (0.50) DRD2DRD4HTR1AOPRM1OPRL1
SCHEMBL16218248 0.75 CHRM2 (0.47) DRD2DRD4OPRM1OPRL1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN claimed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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 (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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL DRD2 1993/4885DRD4 1570/4885HTR1A 1654/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR DRD2 2514/4885DRD4 2093/4885HTR1A 1083/4885

“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.