SCHEMBL8736798

SCHEMBL8736798

Cc1ccc(Oc2cccnc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LTA4H P09960 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2A6 P11509 1/20 0.49
RAB9A P51151 2/20 0.48
GALR3 O60755 1/20 0.48
MAPK1 P28482 1/20 0.48
MAP4K4 O95819 1/20 0.47
NPC1 O15118 1/20 0.45
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL8306130 0.82 KDM4E (0.53) ALDH1A1LTA4HMAPTKMT2ARAB9A
SCHEMBL8736898 0.80 KDM4E (0.51) LMNAALDH1A1LTA4HKMT2ACYP3A4
SCHEMBL20176878 0.79 LMNA (0.50) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL3092042 0.79 KDM4E (0.58) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL29807759 0.79 LTA4H (0.55) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL13657778 0.79 RAB9A (0.64) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL17232513 0.79 LTA4H (0.51) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL13657729 0.79 LTA4H (0.51) LMNAALDH1A1LTA4HTDP1MAPT
SCHEMBL20176880 0.79 LMNA (0.53) LMNAALDH1A1LTA4HTDP1KMT2A
SCHEMBL8736739 0.79 KDM4E (0.50) LMNAALDH1A1KMT2ARAB9AMAP4K4

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 12 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US 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-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 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 (6 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 LMNA 3582/4885ALDH1A1 1451/4885LTA4H 1342/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 LMNA 3582/4885ALDH1A1 1451/4885LTA4H 1342/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF LMNA 3637/4885ALDH1A1 2759/4885LTA4H 4145/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF LMNA 3637/4885ALDH1A1 2759/4885LTA4H 4145/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 LMNA 4492/4885ALDH1A1 2032/4885LTA4H 4457/4885
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 LMNA 946/4885ALDH1A1 3977/4885LTA4H 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.