SCHEMBL6126459

SCHEMBL6126459

COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
TUBB8B A6NNZ2 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37

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
Hydrochloric Acid SCHEMBL6118950 0.99 PIK3CG (0.38) PIK3CGCAMKK2HPGDL3MBTL1KMT2A
SCHEMBL6126356 0.92 LRRK2 (0.44) HPGDL3MBTL1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL6119025 0.91 LRRK2 (0.43) HPGDL3MBTL1KMT2AMAPTTP53
SCHEMBL6126433 0.91 SMN1; SMN2 (0.41) PIK3CGHPGDKMT2AMAPTTP53
SCHEMBL8278493 0.91 LCK (0.35) PDE4BDYRK1A
SCHEMBL8278565 0.90 PLK1 (0.39) DYRK1A
Hydrochloric Acid SCHEMBL6117795 0.90 LCK (0.35) PDE4BDYRK1A
Hydrochloric Acid SCHEMBL6118525 0.89 PLK1 (0.39) DYRK1A
SCHEMBL8277641 0.88 PLK1 (0.35) L3MBTL1KMT2APDE4BDYRK1A
SCHEMBL6126335 0.87 ALDH1A1 (0.37) HPGDKMT2AMAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 PIK3CG 4544/4885CAMKK2 885/4885HPGD 398/4885

“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.