SCHEMBL4900470

SCHEMBL4900470

c1cnc2c(c1)ncc1c[nH]nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.38
CCR1 P32246 3/20 0.38
CCR8 P51685 3/20 0.38
CCR5 P51681 2/20 0.38
HSP90AA1 P07900 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 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
SCHEMBL18099778 0.77 CCR1 (0.58) KDM4ELMNACCR1CCR8CCR5
SCHEMBL30951595 0.76 KDM4E (0.52) KDM4EGPR3PDGFRBPDGFRA
SCHEMBL1727666 0.76 KDM4E (0.52) KDM4EGPR3PDGFRBPDGFRA
SCHEMBL21614330 0.76 CCR1 (0.64) KDM4ELMNACCR1CCR8CCR5
SCHEMBL729397 0.75 KDM4E (0.47) KDM4ELMNACCR1CCR8CCR5
SCHEMBL4932780 0.74 LMNA (0.40) KDM4ELMNACCR1CCR8CCR5
SCHEMBL16114858 0.70 EGFR (0.37) KDM4EHTTALDH1A1GPR3EGFR
SCHEMBL17802429 0.69 ALOX15 (0.39) KDM4ELMNAMAPTMMP2TSHR
SCHEMBL3092457 0.68 KDM4E (0.61) KDM4ELMNACCR1CCR8CCR5
SCHEMBL14324495 0.68 KDM4E (0.37) KDM4ELMNACCR1CCR8CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 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-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 KDM4E 3281/4885LMNA 1368/4885CCR1 4019/4885

“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.