SCHEMBL10094239

SCHEMBL10094239

CC(=O)Nc1ccc(Nc2ncccc2C(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.53
▸ PIK3CA P42336 4/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ TP53 P04637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTK2 Q05397 2/20 0.43
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL10094188 0.76 PIK3CA (0.53) MTORPIK3CAKMT2ANPC1RAB9A
SCHEMBL884325 0.74 MTOR (0.46) MTORPIK3CAKMT2ANPC1RAB9A
SCHEMBL10094192 0.74 DHODH (0.54) KMT2ANPC1RAB9AALDH1A1CYP2C19
SCHEMBL10094166 0.74 CCNA2 (0.48) PIK3CAKMT2ANPC1RAB9AALDH1A1
SCHEMBL10094233 0.74 PIK3CA (0.53) MTORPIK3CAKMT2ANPC1RAB9A
SCHEMBL10094189 0.73 GRM5 (0.38) MTORPIK3CAKMT2ANPC1RAB9A
SCHEMBL19766589 0.72 PTK2 (0.56) KMT2ANPC1RAB9ATP53ALDH1A1
SCHEMBL10094191 0.72 DHODH (0.51) KMT2ANPC1RAB9AALDH1A1CYP2C19
SCHEMBL3113477 0.72 MTOR (0.76) MTORPIK3CA
SCHEMBL10094254 0.71 RAB9A (0.54) KMT2ANPC1RAB9AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 MTOR 3893/4885PIK3CA 2005/4885KMT2A 278/4885

“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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