SCHEMBL1048007

SCHEMBL1048007

C[C@@H]1CN(c2ccc(N)cc2)[C@@H](C)CN1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GFER P55789 4/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
RAD52 P43351 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL12424155 1.00 MAPT (0.40) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL1048008 1.00 MAPT (0.40) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL17265649 0.90 MAPT (0.42) MAPTALDH1A1GFERKDM4EGAA
SCHEMBL25839417 0.82 L3MBTL1 (0.42) MAPTALDH1A1KMT2ACDK4CCND1
SCHEMBL4940436 0.81 DRD2 (0.40) KMT2ACDK4CCND1MAPK1MEN1
SCHEMBL4940440 0.81 DRD2 (0.40) KMT2ACDK4CCND1MAPK1MEN1
SCHEMBL13380438 0.81 MAPK1 (0.50) MAPTALDH1A1GAAESR2CDK4
SCHEMBL24123783 0.79 SIGMAR1 (0.37) MAPTKMT2ACDK4CCND1MAPK1
SCHEMBL2824799 0.78 CHRNB2 (0.47)
SCHEMBL189064 0.76 KDM4E (0.52) MAPTALDH1A1GFERKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 MAPT 1242/4885ALDH1A1 1145/4885GFER 4041/4885

“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.