SCHEMBL20176882

SCHEMBL20176882

Cc1ccc(Oc2ccccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.39
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
P2RY14 Q15391 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL409030 0.81 KDM4E (0.55) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL20176872 0.81 KDM4E (0.42) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL18216655 0.81 DRD1 (0.44) KDM4EALDH1A1HSD17B10POLBMEN1
SCHEMBL20176874 0.79 KDM4E (0.41) CCR1CCR5CCR8KDM4EALDH1A1
Phosphine SCHEMBL17979775 0.79 KDM4E (0.53) CCR1CCR5CCR8KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28670387 0.79 KDM4E (0.53) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL8306130 0.78 KDM4E (0.53) KDM4EALDH1A1HSD17B10CYP1A2MEN1
SCHEMBL171707 0.78 MEN1 (0.55) KDM4EALDH1A1MEN1NPC1RAB9A
Ethylene SCHEMBL27741856 0.77 KDM4E (0.52) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL20176879 0.76 NPC1 (0.44) CCR1CCR5CCR8KDM4EALDH1A1

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 CCR1 509/4885CCR5 1003/4885CCR8 788/4885

“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.