SCHEMBL2691004

SCHEMBL2691004

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccc(C(C)NC(=O)OC(C)(C)C)nc1)OC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CG P48736 5/20 0.32
PIK3CA P42336 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
GRAMD1A Q96CP6 1/20 0.31
TP53 P04637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
OGA O60502 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL2691002 0.83 LMNA (0.35) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2690337 0.81 LMNA (0.35) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2690998 0.79 LMNA (0.34) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2688914 0.79 PIK3CG (0.46) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2690832 0.79 OGA (0.38) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL4759715 0.77 PIK3CG (0.39) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL4759713 0.74 PIK3CG (0.35) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2692071 0.74 PIK3CG (0.46) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2689466 0.72 GPR119 (0.35) GPR119
SCHEMBL2690908 0.68 LMNA (0.38) LMNAGAAMAPTHPGDPIK3CG

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-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 LMNA 1287/4885GAA 980/4885MAPT 1921/4885

“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.