SCHEMBL20176874

SCHEMBL20176874

Cc1cnc(Oc2ccccn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 2/20 0.38
LTA4H P09960 1/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
PIN1 Q13526 1/20 0.36
DRD1 P21728 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2A6 P11509 1/20 0.34

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 0.79 KDM4E (0.55) KDM4EPTGS2LTA4HCYP1A2LMNA
SCHEMBL20176882 0.79 CCR1 (0.45) KDM4EPTGS2CYP1A2LMNAPOLB
Hydrochloric Acid SCHEMBL28670387 0.77 KDM4E (0.53) KDM4EPTGS2LTA4HCYP1A2LMNA
Phosphine SCHEMBL17979775 0.77 KDM4E (0.53) KDM4EPTGS2LTA4HCYP1A2LMNA
SCHEMBL752996 0.77 HTT (0.52) LTA4HCYP1A2TSHRMEN1KMT2A
SCHEMBL18214766 0.77 KMT2A (0.46) KDM4EPTGS2LTA4HMEN1KMT2A
SCHEMBL11537660 0.76 MAP4K4 (0.48) KDM4EPTGS2LTA4HDRD1MEN1
SCHEMBL25679788 0.76 KDM4E (0.50) KDM4EPTGS2LTA4HCYP1A2LMNA
Ethylene SCHEMBL27741856 0.75 KDM4E (0.52) KDM4EPTGS2LTA4HCYP1A2LMNA
SCHEMBL20176879 0.74 NPC1 (0.44) KDM4EPTGS2LTA4HCYP1A2LMNA

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 2267/4885PTGS2 4242/4885LTA4H 2951/4885

“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.