Sugi Predict

Sugi Predict / Compounds / SCHEMBL1332209

SCHEMBL1332209

SCHEMBL1332209

C[C@H]1CC[C@H](Nc2ncc(Br)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.49
▸ MAPK1 P28482 3/20 0.46
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ACACB O00763 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ULK1 O75385 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PAK1 Q13153 1/20 0.33

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
SCHEMBL12125228 1.00 GRM5 (0.49) GRM5MAPK1HDAC3HDAC1HDAC2
SCHEMBL1332208 1.00 GRM5 (0.49) GRM5MAPK1HDAC3HDAC1HDAC2
SCHEMBL248829 0.90 MAPK1 (0.48) GRM5MAPK1HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1669811 0.88 MAPK1 (0.47) GRM5MAPK1HDAC3HDAC1HDAC2
SCHEMBL10187962 0.82 KDM4E (0.53) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL12237657 0.82 KDM4E (0.59) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL16039970 0.81 MAPK8 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22570297 0.81 GRM5 (0.49) GRM5MAPK1HDAC3HDAC1HDAC2
SCHEMBL16039969 0.81 MAPK8 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL25956108 0.81 KDM4E (0.62) MAPK1HDAC3HDAC1HDAC2HDAC6

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 6 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-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 — — US disclosed
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
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 — — 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 GRM5 2764/4885MAPK1 4410/4885HDAC3 4633/4885

“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.