SCHEMBL17889490

SCHEMBL17889490

C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CCN1c1nc(N)nc2c1cnn2C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 11/20 0.70
KCNH2 Q12809 3/20 0.51
CHRM2 P08172 1/20 0.36
EPHX2 P34913 2/20 0.36
NTRK1 P04629 1/20 0.36
KIT P10721 1/20 0.35
KRAS P01116 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17889498 0.93 PI4KB (0.72) PI4KBKCNH2CHRM2EPHX2NTRK1
SCHEMBL17889449 0.92 PI4KB (0.83) PI4KBKCNH2CHRM2EPHX2KIT
SCHEMBL17889437 0.91 PI4KB (0.84) PI4KBKCNH2
SCHEMBL17889446 0.84 PI4KB (0.68) PI4KBKCNH2KITTRPV1
SCHEMBL17889451 0.84 PI4KB (0.84) PI4KBKCNH2KITTRPV1
SCHEMBL17889375 0.83 PI4KB (0.69) PI4KBKCNH2NTRK1KRASTRPV1
SCHEMBL17889492 0.83 PI4KB (0.69) PI4KBKCNH2NTRK1TRPV1
SCHEMBL18788203 0.83 PI4KB (0.51) PI4KBKCNH2CHRM2EPHX2NTRK1
SCHEMBL17889380 0.83 PI4KB (0.69) PI4KBKCNH2CHRM2EPHX2KIT
SCHEMBL17889431 0.83 PI4KB (0.68) PI4KBKCNH2EPHX2KITTRPV1

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 3 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

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 3599/4885CHRM2 4665/4885

“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.