SCHEMBL8084639

SCHEMBL8084639

COC(=O)c1cccn1-c1ccccc1C#N

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
BDKRB1 P46663 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MTOR P42345 1/20 0.38
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38

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
SCHEMBL18839310 0.83 KMT2A (0.45) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL18839566 0.83 KMT2A (0.45) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL18839296 0.79 KMT2A (0.41) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL18839504 0.79 RECQL (0.49) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL21903307 0.77 KMT2A (0.40) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL18839643 0.77 KMT2A (0.40) KMT2AMAPTLMNARECQLALDH1A1
SCHEMBL29191037 0.75 KMT2A (0.41) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL8072110 0.74 ALDH1A1 (0.44) KMT2AMAPTLMNAALDH1A1TDP1
SCHEMBL25392724 0.74 ALDH1A1 (0.48) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL19284321 0.73 NR4A2 (0.50) KMT2AMAPTLMNARECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199662-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF 四川汇宇制药股份有限公司 2022-09-29 WO disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 KMT2A 2993/4885MAPT 3017/4885LMNA 688/4885

“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.