SCHEMBL8324035

SCHEMBL8324035

Cn1nc(CN)c2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
RAB9A P51151 8/20 0.33
HTT P42858 6/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
ATM Q13315 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NR2F2 P24468 2/20 0.32
CYP1A2 P05177 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GRM5 P41594 1/20 0.31
NPC1 O15118 3/20 0.30
S1PR2 O95136 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
SLC2A1 P11166 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14751267 0.82 BRD4 (0.41) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL3796955 0.81 BRD4 (0.40) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL24959143 0.81 BRD4 (0.40) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL23082898 0.81 RAB9A (0.41) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL3799159 0.81 BRD4 (0.43) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL14751327 0.78 BRD4 (0.44) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL3797366 0.77 BRD4 (0.46) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL3796853 0.77 BRD4 (0.43) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL20939482 0.74 POLB (0.34) BRD4RAB9AHTTPABPC1APOBEC3A
SCHEMBL13159948 0.71 KDM4E (0.46) BRD4RAB9AHTTPABPC1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 BRD4 4770/4885RAB9A 1534/4885HTT 2895/4885

“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.