SCHEMBL17889446

SCHEMBL17889446

CC[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2C)CCN1c1nc(N)nc2c1cnn2C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 11/20 0.68
KCNH2 Q12809 2/20 0.49
KIT P10721 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CFD P00746 1/20 0.33
BCDIN3D Q7Z5W3 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
SCHEMBL17889431 0.94 PI4KB (0.68) PI4KBKCNH2KITKDM4EMAPT
SCHEMBL17889380 0.93 PI4KB (0.69) PI4KBKCNH2KITKDM4EMAPT
SCHEMBL17889324 0.92 PI4KB (0.69) PI4KBKCNH2KITMEN1KMT2A
SCHEMBL17889434 0.91 PI4KB (0.82) PI4KBKCNH2MEN1KMT2APOLB
SCHEMBL17889449 0.91 PI4KB (0.83) PI4KBKCNH2KITTRPV1MEN1
SCHEMBL18788434 0.89 PI4KB (0.55) PI4KBKCNH2KITKDM4EMAPT
SCHEMBL18788124 0.85 PI4KB (0.49) PI4KBKCNH2TRPV1POLBBRAF
SCHEMBL17889391 0.85 PI4KB (0.62) PI4KBKCNH2MEN1KMT2AP2RY12
SCHEMBL17889520 0.85 PI4KB (0.62) PI4KBKCNH2KITKDM4EMAPK1
SCHEMBL18788138 0.84 PI4KB (0.49) PI4KBKCNH2TRPV1MEN1KMT2A

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 7 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
EP-2935269-B1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-04-11 EP 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 3599/4885KIT 4129/4885

“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.