SCHEMBL10176269

SCHEMBL10176269

CC(C)Nc1ncnc2c(-c3ccc(C(C)(C)C)cc3)csc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 3/20 0.39
▸ CD38 P28907 1/20 0.39
▸ GRIN2C Q14957 4/20 0.37
▸ SYK P43405 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE7A Q13946 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
SCHEMBL15214852 0.86 LPAR2 (0.42) LPAR2CD38ALDH1A1TP53HTT
SCHEMBL15214864 0.85 LPAR2 (0.40) LPAR2CD38ALDH1A1GPR119HTT
SCHEMBL2477392 0.85 MAPK1 (0.41) LPAR2CD38MAPK1GPR119HTT
SCHEMBL10176265 0.75 LMNA (0.45) LPAR2ALDH1A1MAPK1HTT
SCHEMBL2476576 0.72 LMNA (0.43) LPAR2CD38HTT
SCHEMBL27410321 0.72 LPAR2 (0.51) LPAR2MAPK1
SCHEMBL30808044 0.69 PDPK1 (0.48) LPAR2ALDH1A1THRBCYP17A1
SCHEMBL22750924 0.67 LMNA (0.51) ALDH1A1MAPK1TP53HTT
SCHEMBL10176274 0.65 ALDH1A1 (0.49) ALDH1A1MAPK1DGAT1KIF11
SCHEMBL14478872 0.63 FGFR1 (0.60) ALDH1A1MAPK1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX LPAR2 1461/4885CD38 727/4885GRIN2C 3866/4885

“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.

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