SCHEMBL4710352

SCHEMBL4710352

N#Cc1ccc(NC(=O)c2nccnc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 1/20 0.53
TSHR P16473 2/20 0.50
MLYCD O95822 1/20 0.50
ATR Q13535 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
ATM Q13315 1/20 0.47
PRKCI P41743 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
CD38 P28907 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4884927 0.85 KDM4E (0.54) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL18132543 0.83 KDM4E (0.57) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL18132536 0.83 KDM4E (0.65) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL4710354 0.82 KMT2A (0.46) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL4882810 0.81 KMT2A (0.56) KDM4EMAPTALDH1A1KMT2AATM
SCHEMBL5291484 0.80 KDM4E (0.58) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL11887634 0.80 KDM4E (0.58) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL6141341 0.77 RXFP1 (0.44) KDM4EMAPTALDH1A1MLYCDATM
SCHEMBL19392276 0.77 KDM4E (0.56) KDM4EALOX15L3MBTL1MAPTALDH1A1
SCHEMBL3915690 0.76 MAPT (0.66) KDM4EALOX15L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
WO-2012129562-A2 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-09-27 WO disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
EP-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 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 (4 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD KDM4E 1426/4885ALOX15 1615/4885L3MBTL1 4687/4885
US-20080214533-A1 Cyclic Iminocarbamates And Their Use F2, UQCRB, F12 KDM4E 3856/4885ALOX15 880/4885L3MBTL1 2946/4885
US-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 KDM4E 2428/4885ALOX15 663/4885L3MBTL1 3123/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 KDM4E 2428/4885ALOX15 663/4885L3MBTL1 3123/4885

“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.