SCHEMBL20045031

SCHEMBL20045031

CC(C)c1ccnc(NCc2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
MAPK14 Q16539 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GPR39 O43194 1/20 0.41
CXCR4 P61073 1/20 0.41
ADRA2C P18825 1/20 0.41
FABP1 P07148 1/20 0.40
FABP6 P51161 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK2 P24941 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
SCHEMBL8229631 0.88 NOS2 (0.65) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL8229603 0.85 KDM4E (0.54) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL20045006 0.82 POLB (0.53) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL8224486 0.82 CLK4 (0.54) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL15830494 0.79 NOS2 (0.76) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL16220815 0.79 NOS2 (0.53) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL8230145 0.78 ROCK2 (0.39) NOS2MEN1KMT2APOLBALDH1A1
SCHEMBL449145 0.77 KDR (0.62) FLT1KDR
SCHEMBL84979 0.77 HRH4 (0.52) ALDH1A1KDM4EMAPK14SMN1; SMN2
SCHEMBL21297242 0.76 KDM4E (0.49) NOS2ALDH1A1HPGDKDM4EMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 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 (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-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 NOS2 491/4885MEN1 1329/4885KMT2A 58/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 NOS2 1199/4885MEN1 836/4885KMT2A 129/4885

“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.