SCHEMBL17308604

SCHEMBL17308604

CCc1cc(NC2CCOCC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAP2K7 O14733 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
LRRK2 Q5S007 2/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17072670 0.91 ADORA3 (0.40) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15830282 0.91 ADORA3 (0.40) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15830276 0.91 ADORA3 (0.40) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15830289 0.86 MEN1 (0.53) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17303913 0.84 HRH4 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19633535 0.83 HRH4 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17308554 0.82 MERTK (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17345683 0.82 MERTK (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17303778 0.82 CYP1A2 (0.52) MAPK1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL19957823 0.82 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 MAPK1 936/4885MEN1 628/4885KMT2A 64/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 MAPK1 1371/4885MEN1 1626/4885KMT2A 52/4885

“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.