SCHEMBL10061709

SCHEMBL10061709

CC(=O)NCc1ccncc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SETDB1 Q15047 4/20 0.44
MTNR1A P48039 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SOST Q9BQB4 1/20 0.42
CYP11B2 P19099 1/20 0.41
NAMPT P43490 2/20 0.40
CYP2C9 P11712 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13732150 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSOSTNAMPT
SCHEMBL14960629 0.86 SOST (0.54) ALDH1A1SETDB1MTNR1ANPSR1SOST
SCHEMBL25591488 0.82 MAPT (0.47) ALDH1A1KDM4EMAPTSOSTNAMPT
SCHEMBL16196603 0.81 KMT2A (0.48) SETDB1MTNR1ANPSR1CYP11B2CLK1
SCHEMBL4431041 0.80 KDM4C (0.46) ALDH1A1KDM4EMAPTMTNR1ANPSR1
SCHEMBL31659696 0.79 THRB (0.59) ALDH1A1HPGD
SCHEMBL16020337 0.79 NAMPT (0.49) ALDH1A1KDM4EMAPTNAMPT
SCHEMBL29505920 0.77 PDCD1 (0.43) ALDH1A1KDM4EMAPTSOSTNAMPT
SCHEMBL31659625 0.76 GAA (0.51) ALDH1A1NAMPTHPGD
SCHEMBL2996857 0.76 SLC6A2 (0.48) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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 (1 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 ALDH1A1 450/4885KDM4E 2464/4885MAPT 4348/4885

“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.