SCHEMBL10094188

SCHEMBL10094188

CC(C)c1cccnc1Nc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.53
▸ MTOR P42345 5/20 0.53
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MAPT P10636 2/20 0.37

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
SCHEMBL10094192 0.80 DHODH (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10094166 0.80 CCNA2 (0.48) PIK3CANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094601 0.80 MTOR (0.60) PIK3CAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL10094233 0.80 PIK3CA (0.53) PIK3CAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL10094191 0.78 DHODH (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10094254 0.77 RAB9A (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10094189 0.77 GRM5 (0.38) PIK3CAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL10094180 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10094239 0.76 MTOR (0.53) PIK3CAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL10094260 0.75 ADRA2A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-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

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 PIK3CA 2005/4885MTOR 3893/4885NPC1 660/4885

“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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