SCHEMBL2644654

SCHEMBL2644654

CCOC(=O)c1ccnc(NC(=O)CCC2c3c(F)cccc3C(=O)N2Cc2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
MAPT P10636 9/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.38
ACHE P22303 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
CETP P11597 2/20 0.35

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
SCHEMBL2643416 0.81 TSHR (0.41) TSHRMAPTALDH1A1KDM4E
SCHEMBL2643419 0.81 TSHR (0.41) TSHRMAPTALDH1A1KDM4E
SCHEMBL2643961 0.81 HTT (0.46) MAPTTP53ALDH1A1KDM4ECYP1A2
SCHEMBL2643985 0.81 KDM4E (0.41) TSHRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL2643618 0.80 MAPT (0.40) TSHRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL15925791 0.80 KDM4E (0.48) TSHRMAPTALDH1A1KDM4ECYP1A2
SCHEMBL2644054 0.80 TSHR (0.40) TSHRMAPTALDH1A1KDM4E
SCHEMBL2643593 0.79 MAPT (0.40) TSHRMAPTALDH1A1KDM4E
SCHEMBL2644875 0.78 SMN1; SMN2 (0.47) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL2643760 0.78 WNT3A (0.42) MAPTALDH1A1KDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 TSHR 3340/4885MAPT 3322/4885TP53 3600/4885

“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.