SCHEMBL19687778

SCHEMBL19687778

O=c1[nH]ccc2cccc(C(F)(F)F)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.56
RPS6KA3 P51812 1/20 0.56
MELK Q14680 1/20 0.56
STK24 Q9Y6E0 1/20 0.56
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP1 P09874 4/20 0.44
CHEK1 O14757 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CES1 P23141 1/20 0.38
ZAP70 P43403 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL23178972 0.82 JAK2 (0.56) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL30219970 0.76 TRPV1 (0.45) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL6798992 0.76 JAK2 (0.61) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL29026813 0.75 CHEK1 (0.43) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL593971 0.73 KDM4E (0.58) KDM4ESMN1; SMN2HSD17B10MEN1ALDH1A1
SCHEMBL1536662 0.73 KDM4E (0.57) KDM4ESMN1; SMN2HSD17B10PARP1MEN1
SCHEMBL908781 0.72 KDM4E (0.47) KDM4ESMN1; SMN2HSD17B10PARP1MEN1
SCHEMBL168637 0.72 JAK2 (0.61) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL11775264 0.72 JAK2 (0.61) JAK2RPS6KA3MELKSTK24KDM4E
SCHEMBL3117561 0.72 JAK2 (0.61) JAK2RPS6KA3MELKSTK24KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349602-A1 PIPERIDINE SUBSTITUTED TRICYCLIC 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

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-20170349602-A1 PIPERIDINE SUBSTITUTED TRICYCLIC PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) ZC3HAV1, MAVS, PIR JAK2 1834/4885RPS6KA3 3851/4885MELK 1556/4885

“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.