SCHEMBL12064447

SCHEMBL12064447

CCc1ccc2[nH]nc(NC)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 7/20 0.47
GRM4 Q14833 1/20 0.44
GSK3B P49841 6/20 0.42
GSK3A P49840 1/20 0.40
CDK2 P24941 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MAPK10 P53779 1/20 0.38
RIPK1 Q13546 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
SCHEMBL12388929 0.87 GSK3B (0.50) GRM4GSK3B
SCHEMBL11748510 0.81 NTRK1 (0.43) NTRK1GRM4GSK3BGSK3ACDK2
SCHEMBL28000229 0.80 KDM4E (0.54) NTRK1GSK3BGSK3ACDK2KDM4E
SCHEMBL2662164 0.79 NTRK1 (0.52) NTRK1GRM4GSK3BGSK3ACDK2
SCHEMBL7214763 0.77 FADS1 (0.56) GRM4GSK3BKDM4EALDH1A1
SCHEMBL7978106 0.77 HTR1D (0.41) NTRK1GRM4GSK3BKDM4ENPC1
SCHEMBL1696402 0.77 JAK2 (0.55) NTRK1GSK3BGSK3ACDK2KDM4E
SCHEMBL91441 0.77 NTRK1 (0.43) NTRK1GSK3BKDM4ENPC1ALDH1A1
SCHEMBL26394395 0.77 MAP2K4 (0.55) NTRK1GSK3BGSK3ACDK2
SCHEMBL26399495 0.76 TTK (0.59) KDM4ENPC1ALDH1A1

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-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 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 (3 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR NTRK1 4327/4885GRM4 3047/4885GSK3B 138/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 NTRK1 4672/4885GRM4 2304/4885GSK3B 180/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NTRK1 3186/4885GRM4 3621/4885GSK3B 249/4885

“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.