SCHEMBL16491990

SCHEMBL16491990

Cc1cnc(Cl)cc1NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
PIP4K2C Q8TBX8 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
VNN1 O95497 1/20 0.43
HPGD P15428 2/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL16491996 0.81 KDM4E (0.51) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1232930 0.80 NPC1 (0.50) KDM4ERAB9ANPC1MAOAMAOB
SCHEMBL16491991 0.79 KDM4E (0.49) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL12279848 0.79 AURKA (0.50) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL2447775 0.78 RAB9A (0.47) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL16489562 0.78 CTSB (0.57) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2397579 0.77 GAA (0.60) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL31201552 0.77 MAOA (0.50) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL16491982 0.75 MAPT (0.68) KDM4EMAPTRAB9ACYP1A2CYP3A4
SCHEMBL12887517 0.75 MEN1 (0.53) KDM4EMAPTRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296748-B2 Pyridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-29 US disclosed
US-20150246919-A1 PYRIDINONES BOEHRINGER INGELHEIM INT (DE) 2015-09-03 US disclosed
US-20150051208-A1 PYRIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-19 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 (2 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-20150051208-A1 PYRIDINONES MKI67, XDH, CDK6 KDM4E 1683/4885MAPT 4084/4885RAB9A 3821/4885
US-20150246919-A1 PYRIDINONES MKI67, XDH, CDK6 KDM4E 1683/4885MAPT 4084/4885RAB9A 3821/4885

“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.