SCHEMBL20176869

SCHEMBL20176869

Cc1ncc(Oc2ccccn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.45
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 2/20 0.42
LTA4H P09960 1/20 0.42
GRM5 P41594 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE10A Q9Y233 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL11537660 0.81 MAP4K4 (0.48) DRD1KDM4EPTGS2LTA4HGRM5
SCHEMBL11143982 0.79 PTGS2 (0.57) DRD1KDM4EPTGS2LTA4HGRM5
SCHEMBL171707 0.78 MEN1 (0.55) DRD1KDM4EPTGS2LTA4HMAPK1
Methyl Alcohol SCHEMBL11157137 0.78 GPR39 (0.51) KDM4EPTGS2LTA4HGRM5TLR4
SCHEMBL147539 0.77 LOXL2 (0.52) KDM4EPTGS2LTA4HGRM5TLR4
SCHEMBL29610302 0.77 LOXL2 (0.52) KDM4EPTGS2LTA4HGRM5TLR4
SCHEMBL22061563 0.77 KDM4E (0.48) DRD1KDM4EPTGS2LTA4HGRM5
SCHEMBL5346384 0.77 DHODH (0.44) DRD1KDM4EPTGS2LTA4HGRM5
SCHEMBL409030 0.76 KDM4E (0.55) KDM4EPTGS2LTA4HTLR4TLR2
SCHEMBL5443693 0.75 LTA4H (0.50) KDM4EPTGS2LTA4HGRM5TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 EP disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 DRD1 1287/4885KDM4E 2267/4885PTGS2 4242/4885

“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.