SCHEMBL5528562

SCHEMBL5528562

CCN(C)C(=O)c1cc(-c2ccc(CNC(=O)N(C)C)cn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.41
MLLT1 Q03111 1/20 0.39
NTRK1 P04629 1/20 0.36
RPA1 P27694 3/20 0.35
CSF1R P07333 2/20 0.35
CYP11B1 P15538 1/20 0.35
NAMPT P43490 1/20 0.34
P2RX7 Q99572 1/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
MALT1 Q9UDY8 1/20 0.33
HDAC1 Q13547 1/20 0.33
ADORA2A P29274 1/20 0.33
OXTR P30559 1/20 0.33
ENPP2 Q13822 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
SCHEMBL5525576 0.89 NTRK1 (0.33) SMOMLLT1NTRK1RPA1CSF1R
SCHEMBL5525372 0.89 MALT1 (0.35) RPA1CSF1RNAMPTP2RX7CCNE1
SCHEMBL5525748 0.88 SMO (0.37) SMOMLLT1NTRK1RPA1CYP11B1
SCHEMBL5524300 0.87 CYP11B1 (0.37) SMOMLLT1CSF1RCYP11B1CCNE1
SCHEMBL5521080 0.87 MLLT1 (0.49) SMOMLLT1NTRK1CSF1RADORA2A
SCHEMBL5525538 0.84 OXTR (0.36) SMORPA1CYP11B1P2RX7MALT1
SCHEMBL14416571 0.83 RPA1 (0.36) SMORPA1CSF1RP2RX7CCNE1
SCHEMBL5148813 0.82 RPA1 (0.47) SMORPA1MALT1
SCHEMBL5521163 0.82 OXTR (0.45) SMORPA1MALT1ADORA2AOXTR
SCHEMBL5524209 0.82 PIK3CA (0.35) RPA1NAMPTP2RX7CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 SMO 2054/4885MLLT1 1463/4885NTRK1 3841/4885

“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.