SCHEMBL4078175

SCHEMBL4078175

C=CCc1nnc2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 4/20 0.65
RAB9A P51151 8/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GSK3B P49841 1/20 0.38
HTR5A P47898 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL11211032 0.76 MET (0.57) KDM4EALDH1A1
SCHEMBL8350565 0.76 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5373208 0.76 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5359262 0.76 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14759162 0.76 KDM4E (0.71) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL14759243 0.74 KDM4E (0.69) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL24273206 0.73 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7983003 0.73 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL24862850 0.73 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23959346 0.71 KDM4E (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
US-7144907-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-12-05 US disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 US disclosed
US-4550166-A SEDATIVES, TRANQUILIZERS, TENSION REDUCERS AMERICAN CYANAMID COMPANY (US) 1985-10-29 US disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDM4E 836/4885ALDH1A1 1431/4885RAB9A 186/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDM4E 875/4885ALDH1A1 1609/4885RAB9A 212/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDM4E 1179/4885ALDH1A1 1721/4885RAB9A 147/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDM4E 875/4885ALDH1A1 1609/4885RAB9A 212/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 KDM4E 4266/4885ALDH1A1 408/4885RAB9A 2489/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 KDM4E 1127/4885ALDH1A1 2351/4885RAB9A 302/4885

“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.