SCHEMBL20176872

SCHEMBL20176872

Cc1cnc(Oc2ccccn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 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
PIN1 Q13526 1/20 0.37
DRD1 P21728 1/20 0.36
TSHR P16473 1/20 0.36
SCN9A Q15858 1/20 0.36
PTGS2 P35354 2/20 0.36
LTA4H P09960 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL9384543 0.83 KDM4E (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL20176882 0.81 CCR1 (0.45) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL409030 0.76 KDM4E (0.55) KDM4ECCR1CCR5CCR8LMNA
Bicarbonate SCHEMBL2043290 0.74 LMNA (0.45) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL171707 0.74 MEN1 (0.55) KDM4EDRD1PTGS2LTA4HMEN1
Phosphine SCHEMBL17979775 0.74 KDM4E (0.53) KDM4ECCR1CCR5CCR8LMNA
Hydrochloric Acid SCHEMBL28670387 0.74 KDM4E (0.53) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL16478925 0.74 MEN1 (0.55) CYP1A2TSHRLTA4HMEN1KMT2A
SCHEMBL5346384 0.73 DHODH (0.44) KDM4ELMNADRD1PTGS2LTA4H
SCHEMBL20176869 0.73 DRD1 (0.45) KDM4ECCR1CCR5CCR8LMNA

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US 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 KDM4E 2267/4885CCR1 509/4885CCR5 1003/4885

“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.