SCHEMBL6346129

SCHEMBL6346129

NC(=O)c1cnn(C2CCC(F)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.41
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 7/20 0.35
JAK3 P52333 7/20 0.35
TYK2 P29597 6/20 0.35
JAK2 O60674 4/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
SYK P43405 2/20 0.34
PDE9A O76083 1/20 0.33
EEF2K O00418 1/20 0.33
PLAT P00750 1/20 0.32

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
SCHEMBL17604090 0.92 RIPK2 (0.46) RIPK2ALOX15TSHRLMNARAB9A
SCHEMBL1717428 0.86 RIPK2 (0.44) RIPK2ALOX15TSHRLMNARAB9A
SCHEMBL1164192 0.86 RIPK2 (0.44) RIPK2ALOX15TSHRLMNARAB9A
SCHEMBL1717322 0.85 JAK1 (0.41) RIPK2ALOX15TSHRJAK1JAK3
SCHEMBL2078467 0.84 RIPK2 (0.43) RIPK2ALOX15TSHRLMNARAB9A
SCHEMBL626803 0.82 PARP1 (0.40) RIPK2ALOX15TSHRJAK1JAK3
SCHEMBL1717672 0.82 RIPK2 (0.41) RIPK2ALOX15TSHRLMNARAB9A
SCHEMBL7883835 0.79 TYK2 (0.41) RIPK2TSHRJAK1JAK3TYK2
SCHEMBL16908716 0.79 ALOX15 (0.42) RIPK2ALOX15LMNARAB9ASMN1; SMN2
SCHEMBL7876638 0.77 ALOX15 (0.38) RIPK2ALOX15TSHRLMNARAB9A

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
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 RIPK2 3926/4885ALOX15 571/4885TSHR 3183/4885

“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.