SCHEMBL20176879

SCHEMBL20176879

Cc1ccc(Oc2ccccn2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.37
CYP1A2 P05177 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
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37

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) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10533401 0.78 BCAT2 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
Phosphine SCHEMBL17979775 0.77 KDM4E (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28670387 0.77 KDM4E (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL25679788 0.76 KDM4E (0.50) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL20176882 0.76 CCR1 (0.45) NPC1MEN1KMT2ARAB9ATSHR
Ethylene SCHEMBL27741856 0.75 KDM4E (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9005122 0.75 KDM4E (0.49) NPC1RAB9ASMN1; SMN2TSHRKDM4E
SCHEMBL753331 0.75 BCAT2 (0.60) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL20176874 0.74 KDM4E (0.41) NPC1MEN1KMT2ARAB9ATSHR

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 NPC1 1786/4885MEN1 3821/4885KMT2A 1689/4885

“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.