SCHEMBL17889458

SCHEMBL17889458

COc1ccc(NC(=O)N2CCN(c3nc(N)nc4c3cnn4C)[C@@H](C)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 18/20 0.78
KCNH2 Q12809 6/20 0.63
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL17889456 1.00 PI4KB (0.78) PI4KBKCNH2MAPTCYP3A4ALDH1A1
SCHEMBL17889438 0.88 PI4KB (0.64) PI4KBKCNH2MAPTGAAGFER
SCHEMBL17889436 0.88 PI4KB (0.64) PI4KBKCNH2MAPTGAAGFER
SCHEMBL17889470 0.88 PI4KB (1.00) PI4KBKCNH2ALDH1A1GAAMAPK1
SCHEMBL17889468 0.88 PI4KB (1.00) PI4KBKCNH2ALDH1A1GAAMAPK1
SCHEMBL29586197 0.88 PI4KB (1.00) PI4KBKCNH2ALDH1A1GAAMAPK1
SCHEMBL17889404 0.88 PI4KB (0.88) PI4KBKCNH2ALDH1A1GAAMAPK1
SCHEMBL17889341 0.88 PI4KB (1.00) PI4KBKCNH2ALDH1A1GAAMAPK1
SCHEMBL17889437 0.87 PI4KB (0.84) PI4KBKCNH2MAPTALDH1A1GAA
SCHEMBL17889373 0.86 PI4KB (0.68) PI4KBKCNH2MAPTALDH1A1GAA

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
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US claimed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US claimed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 US claimed
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 US disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 PI4KB 275/4885KCNH2 3599/4885MAPT 2266/4885

“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.