SCHEMBL12367103

SCHEMBL12367103

Cc1ccnc(NC2CCN(c3cccc(CC#N)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
PHGDH O43175 1/20 0.42
ACHE P22303 3/20 0.40
MAPK10 P53779 3/20 0.40
BACE1 P56817 2/20 0.40
HRH4 Q9H3N8 3/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CXCR4 P61073 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL2265337 0.84 CYP2C9 (0.42) CARM1PRMT6PRMT8ACHEBACE1
SCHEMBL2265703 0.79 KCNH2 (0.40) CARM1PRMT6PRMT8ACHEMAPK10
SCHEMBL12367091 0.77 PHGDH (0.48) CARM1PRMT6PRMT8PHGDHMAPK10
SCHEMBL12367087 0.77 PHGDH (0.46) PHGDHSMN1; SMN2HSD17B10DRD2
SCHEMBL12390374 0.74 HRH4 (0.44) CARM1PRMT6PRMT8ACHEBACE1
SCHEMBL12367104 0.73 PRMT6 (0.46) PRMT6ACHEDRD2DRD3VCP
SCHEMBL16966430 0.71 VCP (0.46) PRMT6DRD2DRD3VCP
SCHEMBL12367075 0.71 IKBKB (0.61) MAPK10HRH4
SCHEMBL91469 0.70 CTSK (0.49) MAPK10HRH4
SCHEMBL12367110 0.69 JAK2 (0.45) CARM1PRMT6PRMT8PSEN1PSEN2

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-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A CARM1 1026/4885PRMT6 61/4885PRMT8 91/4885

“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.