SCHEMBL17827792

SCHEMBL17827792

Oc1ncnc2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
EGFR P00533 10/20 0.36
NQO2 P16083 2/20 0.33
BACE1 P56817 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL8810067 0.78 PARP1 (0.44) EGFRNQO2HTTGLAPDE4A
SCHEMBL9267455 0.78 PDE4A (0.48) PDPK1EGFRBACE1ABCG2HTT
SCHEMBL29937185 0.78 PARP1 (0.44) EGFRNQO2HTTGLAPDE4A
SCHEMBL31113992 0.78 PDE4A (0.48) PDPK1EGFRBACE1ABCG2HTT
SCHEMBL1013192 0.78 ELANE (0.44) MEN1KMT2AACHE
SCHEMBL18312022 0.78 PI4KA (0.48) PDPK1EGFRBACE1PI4KAPI4K2B
SCHEMBL2621725 0.75 LMNA (0.33) HTTSMN1; SMN2
SCHEMBL3871215 0.73 PDPK1 (0.43) PDPK1EGFRNQO2BACE1HTT
SCHEMBL29487399 0.73 PDPK1 (0.39) PDPK1NQO2BACE1KMT2AACHE
SCHEMBL3429487 0.73 EGFR (0.51) EGFRNQO2KDM4EMEN1TP53

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-9981976-B2 Piperidine substituted pyrazolo[1,5-A]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2018-05-29 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
US-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-12-07 US disclosed
WO-2016091774-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 WO 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-20170349591-A1 PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) ZC3HAV1, RRP15, PIR PDPK1 756/4885EGFR 3390/4885NQO2 577/4885

“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.