SCHEMBL2391102

SCHEMBL2391102

CC(C)(C)N1C[C@@H]2C[C@H]1CN2c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
GFER P55789 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRA2C P18825 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
AKR1C3 P42330 1/20 0.32
RAD52 P43351 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL21025630 0.85 MAPT (0.35) MAPTALDH1A1AKR1C3CHRNB2CHRNA4
SCHEMBL20234511 0.84 HSD11B1 (0.38) KMT2AAKR1C3MEN1
SCHEMBL20234514 0.84 HSD11B1 (0.38) KMT2AAKR1C3MEN1
SCHEMBL21025889 0.83 HSD11B1 (0.41)
SCHEMBL21641736 0.78 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL2729685 0.78 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL27393647 0.78 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL2392194 0.78 SIRT6 (0.40) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL18356972 0.76 HDAC1 (0.43) KDM4EKMT2AMEN1ALOX15RECQL
SCHEMBL12142417 0.76 HDAC2 (0.38) AKR1C3SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 KDM4E 4667/4885GAA 4391/4885MAPT 855/4885

“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.