SCHEMBL1334061

SCHEMBL1334061

Nc1ncc(-c2ccc(N3CCCCC3)nc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.60
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 1/20 0.49
UBE2T Q9NPD8 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5AP P20292 2/20 0.46
ACVR1 Q04771 1/20 0.46
PIK3CA P42336 2/20 0.46
MTOR P42345 1/20 0.45

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
SCHEMBL1332322 0.81 PIK3CA (0.53) CNR2KDM4EMAPTALDH1A1LMNA
SCHEMBL3828767 0.80 ALOX5AP (0.50) CNR2KDM4EALOX5AP
SCHEMBL29739351 0.78 UBE2T (0.54) CNR2CNR1KDM4EUBE2TMAPT
SCHEMBL2744803 0.78 UBE2T (0.54) CNR2CNR1KDM4EUBE2TMAPT
SCHEMBL922771 0.78 UBE2T (0.54) CNR2CNR1KDM4EUBE2TMAPT
Hydrochloric Acid SCHEMBL1984542 0.77 UBE2T (0.53) CNR2CNR1KDM4EUBE2TMAPT
SCHEMBL29884840 0.76 CNR2 (0.57) CNR2KDM4EMAPTALDH1A1
SCHEMBL21223162 0.76 CNR2 (0.54) CNR2CNR1KDM4EUBE2TPIK3CA
SCHEMBL241019 0.76 UBE2T (0.56) CNR2CNR1KDM4EUBE2TMAPT
SCHEMBL29377723 0.76 UBE2T (0.56) CNR2CNR1KDM4EUBE2TMAPT

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-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS CNR2 836/4885CNR1 1055/4885KDM4E 4417/4885

“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.