SCHEMBL17306714

SCHEMBL17306714

CN(C)c1cc(C(C)(C)C)nc(NC2CNC2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.38
▸ ADRA2A P08913 3/20 0.38
▸ HRH1 P35367 3/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ HTR2B P41595 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL17308308 0.81 MCHR1 (0.50) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL17306708 0.77 DDB1 (0.39) —
SCHEMBL17306717 0.77 HRH3 (0.34) CCNT1CDK9HRH4
SCHEMBL17300822 0.74 HRH4 (0.42) CCNT1CDK9HRH4
SCHEMBL17342210 0.74 CCNT1 (0.33) CCNT1CDK9MAPK14
SCHEMBL17300826 0.69 HRH3 (0.39) CCNT1CDK9HRH4
SCHEMBL17306727 0.69 DRD2 (0.31) —
SCHEMBL17306724 0.66 EHMT2 (0.34) CNR1KCNH2AURKB
SCHEMBL17300824 0.66 HRH3 (0.35) HRH4MAPK14
SCHEMBL17300831 0.66 PTGS2 (0.32) CCNT1CDK9

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-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — 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 (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-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 MCHR1 3726/4885ADRA2A 4120/4885HRH1 820/4885

“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.

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