SCHEMBL2051073

SCHEMBL2051073

COc1ccc2nccc(-c3cn[nH]c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 7/20 0.57
KDM4E B2RXH2 2/20 0.49
AURKA O14965 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
TPX2 Q9ULW0 1/20 0.49
LMNA P02545 1/20 0.48
NCF1 P14598 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
TLR8 Q9NR97 1/20 0.45
KCNH2 Q12809 1/20 0.44
GRM4 Q14833 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
BMPR1B O00238 1/20 0.43

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
SCHEMBL730133 0.80 MAP3K14 (0.56) MAP3K14AURKAAURKBINCENPTPX2
SCHEMBL10157305 0.80 PIK3CA (0.57) KDM4EMAPK1NPSR1LMNANCF1
SCHEMBL30440258 0.80 PIK3CA (0.57) KDM4EAURKAMAPK1NPSR1AURKB
SCHEMBL3430462 0.76 AURKA (0.56) MAP3K14KDM4EAURKAMAPK1AURKB
SCHEMBL30147790 0.76 AURKA (0.56) MAP3K14KDM4EAURKAMAPK1AURKB
SCHEMBL26420650 0.76 TLR8 (0.60) KDM4EMAPK1NPSR1LMNANCF1
SCHEMBL15079353 0.75 AAK1 (0.49) KDM4EMAPK1NPSR1LMNANCF1
SCHEMBL731495 0.74 MAP3K14 (0.50) MAP3K14AURKAAURKBINCENPTPX2
SCHEMBL24290014 0.73 CCR1 (0.61) TLR8AKT1ROCK1
SCHEMBL13191354 0.73 TLR8 (0.65) KDM4EMAPK1NPSR1LMNANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US claimed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US claimed
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP claimed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO claimed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US claimed
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US disclosed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US disclosed
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP disclosed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A MAP3K14 1111/4885KDM4E 1541/4885AURKA 1637/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A MAP3K14 1111/4885KDM4E 1541/4885AURKA 1637/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A MAP3K14 1111/4885KDM4E 1541/4885AURKA 1637/4885

“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.