SCHEMBL12777941

SCHEMBL12777941

CC(C)n1ccc(-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.51
DYRK1A Q13627 1/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP17A1 P05093 1/20 0.38
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2609419 0.83 DYRK1A (0.45) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL13273051 0.81 DYRK1A (0.44) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL21051521 0.81 DYRK1A (0.44) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL16595866 0.81 DYRK1A (0.44) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL12777940 0.81 KMT2A (0.59) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL26474261 0.81 DYRK1A (0.41) SCN4ADYRK1APRMT5WDR77TGFBR1
SCHEMBL14375504 0.79 DYRK1A (0.49) DYRK1AKMT2ALMNAKEAP1PRMT5
SCHEMBL12777942 0.79 NPC1 (0.47) SCN4ADYRK1ANPC1RAB9AKMT2A
SCHEMBL26253756 0.78 KCNH2 (0.40) DYRK1ANPC1RAB9AKMT2AMEN1
SCHEMBL26660915 0.78 DYRK1A (0.44) SCN4ADYRK1AKMT2AKEAP1PRMT5

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-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 US disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 SCN4A 3698/4885DYRK1A 3636/4885NPC1 841/4885

“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.