SCHEMBL5523503

SCHEMBL5523503

Cc1ccc(-n2nc(C(=O)N(C)C(C)C)cc2-c2ccc(C#N)cn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.36
RPA1 P27694 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
SLC34A1 Q06495 1/20 0.32
GRM1 Q13255 1/20 0.32
PIK3CA P42336 1/20 0.32
OXTR P30559 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
SCHEMBL14420766 0.88 KDM1A (0.35) KDM1ARPA1MALT1
SCHEMBL5519940 0.86 RPA1 (0.38) KDM1ARPA1MALT1OXTR
SCHEMBL5267891 0.85 RPA1 (0.50) KDM1ARPA1
SCHEMBL5521187 0.85 ALDH1A1 (0.38) MALT1GRM1
SCHEMBL5270003 0.80 CA9 (0.43) RPA1
SCHEMBL5266989 0.78 KDM1A (0.51) KDM1A
SCHEMBL5521163 0.75 OXTR (0.45) KDM1ARPA1MALT1OXTR
SCHEMBL5520085 0.73 MALT1 (0.37) RPA1MALT1
SCHEMBL14416560 0.73 ALDH1A1 (0.36) MALT1
SCHEMBL5524918 0.72 RPA1 (0.47) RPA1OXTR

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 2 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
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 KDM1A 489/4885RPA1 1661/4885MALT1 3117/4885

“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.