SCHEMBL21033482

SCHEMBL21033482

CCOC(=O)c1cn2nc(C(F)(F)F)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.49
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MLYCD O95822 2/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL21033473 0.82 KDM4E (0.67) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL974916 0.80 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL2517089 0.80 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL974963 0.80 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL31035800 0.80 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL21033315 0.79 PTGS1 (0.41) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL30845789 0.78 TGFBR1 (0.43) KDM4EKMT2AALDH1A1HPGD
SCHEMBL2067013 0.78 KDM4E (0.61) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL14417633 0.78 KDM4E (0.61) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL12891189 0.78 KDM4E (0.61) KDM4ERAB9ANPC1RXFP1KMT2A

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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2021-06-03 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 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 (2 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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 KDM4E 221/4885RAB9A 462/4885NPC1 3585/4885
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease VHL, FH, TPMT KDM4E 3499/4885RAB9A 2086/4885NPC1 144/4885

“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.