SCHEMBL10094253

SCHEMBL10094253

CC(C)c1cccnc1Nc1cccc(N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.46
▸ KDM1A O60341 2/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ MAP3K5 Q99683 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ APP P05067 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 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
SCHEMBL10094191 0.80 DHODH (0.51) ABCG2POLBLMNANPC1RAB9A
SCHEMBL2739344 0.76 LMNA (0.64) EGFRABCG2POLBLMNAALDH1A1
SCHEMBL10094199 0.76 ABCG2 (0.51) EGFRABCG2POLBNPC1RAB9A
SCHEMBL10094166 0.76 CCNA2 (0.48) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094258 0.75 GRM4 (0.54) EGFRABCG2JAK2POLBLMNA
SCHEMBL10094180 0.75 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10094202 0.75 ROCK1 (0.51) EGFRFLT3LMNANPC1ALDH1A1
SCHEMBL3030672 0.74 KDM1A (0.59) EGFRKDM1AABCG2JAK2APP
SCHEMBL10094260 0.74 ADRA2A (0.45) EGFRABCG2JAK2POLBLMNA
SCHEMBL10094208 0.73 LMNA (0.54) POLBLMNANPC1RAB9ASMN1; SMN2

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 EGFR 4779/4885KDM1A 342/4885ABCG2 565/4885

“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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