SCHEMBL2805264

SCHEMBL2805264

CN(C(=O)C1(NC(=O)c2cncnc2)CC1)c1ncc(Nc2ccccc2Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.40
CNR1 P21554 6/20 0.40
LCK P06239 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AURKA O14965 3/20 0.35
JAK2 O60674 2/20 0.35
AURKB Q96GD4 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
ACVRL1 P37023 1/20 0.34
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL185386 0.90 LCK (0.37) BDKRB1CNR1LCKAURKAJAK2
SCHEMBL2805260 0.80 BDKRB1 (0.45) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL2804889 0.74 MAPK9 (0.36) BDKRB1LCKHDAC3HDAC1HDAC2
SCHEMBL2808764 0.71 CNR2 (0.38) BDKRB1MAPK9MAPK10
SCHEMBL2811075 0.71 BDKRB1 (0.57) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL2805105 0.71 BDKRB1 (0.34) BDKRB1LCKHDAC3HDAC1HDAC2
SCHEMBL2805743 0.71 BDKRB1 (0.34) BDKRB1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2805683 0.68 MAPT (0.35) BDKRB1
SCHEMBL2804955 0.68 PIK3CA (0.36) BDKRB1CNR1HDAC3HDAC1HDAC2
SCHEMBL2806524 0.68 BRAF (0.38) BDKRB1LCKMAPK9MAPK10MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885LCK 3975/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885LCK 3975/4885

“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.