SCHEMBL12145232

SCHEMBL12145232

c1ccc(-c2cc3ccccc3c3nccn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.58
KDR P35968 3/20 0.46
CHEK1 O14757 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PRKACA P17612 1/20 0.46
CDK8 P49336 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ACVR1 Q04771 1/20 0.46
MAP4K2 Q12851 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
AURKB Q96GD4 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL12145236 0.78 PTAFR (0.50) PTAFRCDK8ROCK1ADORA2AALDH1A1
SCHEMBL12145253 0.75 KDR (0.49) KDRKMT2AALDH1A1MEN1LMNA
SCHEMBL14474242 0.75 CCNB2 (0.43) PTAFRKDRCHEK1MAP4K4CSF1R
SCHEMBL12145673 0.73 POLB (0.59) KMT2APOLBALDH1A1TSHRMEN1
SCHEMBL12145208 0.73 KDM4E (0.46) PTAFRADORA2AKMT2ACYP2C19ALDH1A1
SCHEMBL10375089 0.71 KMT2A (0.49) KMT2AALDH1A1TSHRMEN1HPGD
SCHEMBL11421945 0.71 KDM4E (0.53) KMT2APOLBALDH1A1TSHRMEN1
SCHEMBL12145238 0.70 PTAFR (0.39) PTAFRKMT2AALDH1A1TSHRMEN1
SCHEMBL12145234 0.70 PDE5A (0.43) PTAFRPDE3BPDE3AKMT2APOLB
SCHEMBL7555130 0.70 NTRK1 (0.46) KDRCHEK1MAP4K4CSF1RPRKACA

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
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 PTAFR 4668/4885KDR 4513/4885CHEK1 3789/4885

“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.