SCHEMBL8736898

SCHEMBL8736898

Cc1ccc(Oc2ccncc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
MAP4K4 O95819 2/20 0.41
POLB P06746 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GALR3 O60755 1/20 0.38
NOS3 P29474 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
SCHEMBL8737052 0.86 KDM4E (0.66) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8306130 0.82 KDM4E (0.53) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL4598049 0.81 KDM4E (0.56) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8736798 0.80 LMNA (0.60) KDM4EKMT2ARAB9ANPC1ALDH1A1
SCHEMBL17427864 0.79 KDM4E (0.54) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL4598208 0.79 KDM4E (0.54) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL12102113 0.79 KDM4E (0.54) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL4597506 0.79 KDM4E (0.54) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL778928 0.79 MEN1 (0.64) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL8737477 0.79 LIPE (0.56) KDM4EMEN1KMT2ARAB9ALMNA

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 6 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
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US 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 (3 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF KDM4E 1353/4885MEN1 2248/4885KMT2A 1462/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 KDM4E 2267/4885MEN1 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.