SCHEMBL668252

SCHEMBL668252

CCCCCc1nc2ccccc2n1CCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 1/20 0.66
APEX1 P27695 1/20 0.65
AGTR1 P30556 2/20 0.63
AGTR2 P50052 2/20 0.63
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 2/20 0.61
GAA P10253 1/20 0.61
PIN1 Q13526 2/20 0.60
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.59
HDAC6 Q9UBN7 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL9422768 0.96 KDM4E (0.67) LMNAKDM4EKMT2AAPEX1AGTR1
SCHEMBL540895 0.91 TP53 (0.65) LMNAKDM4EAPEX1AGTR1AGTR2
SCHEMBL22639681 0.85 KMT2A (0.74) LMNAKDM4EKMT2AAPEX1SMN1; SMN2
SCHEMBL2361056 0.85 TP53 (0.69) LMNAKMT2ATP53SMN1; SMN2HTT
SCHEMBL9533881 0.85 CHRM1 (0.55) LMNAKDM4EKMT2AAGTR1AGTR2
SCHEMBL28481747 0.84 LMNA (0.81) LMNAKMT2AAGTR1AGTR2TP53
SCHEMBL29411883 0.84 LMNA (0.81) LMNAKMT2AAGTR1AGTR2TP53
SCHEMBL28860662 0.84 LMNA (0.67) LMNAAGTR1AGTR2TP53SMN1; SMN2
SCHEMBL28716632 0.84 LMNA (0.67) LMNAAGTR1AGTR2TP53SMN1; SMN2
SCHEMBL28879019 0.84 LMNA (0.67) LMNAAGTR1AGTR2TP53SMN1; SMN2

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB LMNA 3119/4885KDM4E 1893/4885KMT2A 1777/4885

“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.