SCHEMBL6842163

SCHEMBL6842163

CNc1nc(C)c(C(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ JAK2 O60674 3/20 0.33
▸ EGFR P00533 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CDK4 P11802 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ GFER P55789 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
SCHEMBL27624142 0.79 KMT2A (0.42) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL27624143 0.79 KMT2A (0.42) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL12894237 0.75 PIK3CG (0.54) ALDH1A1CYP1A2GAACYP2C9RXFP1
SCHEMBL24624425 0.74 RXFP1 (0.44) L3MBTL1ALDH1A1RAB9ASMN1; SMN2CYP1A2
SCHEMBL18483222 0.74 TSHR (0.31) TSHR
SCHEMBL14058886 0.74 KMT2A (0.41) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL104766 0.72 COMT (0.32) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9965751 0.72 — —
SCHEMBL10669262 0.72 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1JAK2EGFR
SCHEMBL15070777 0.71 LCK (0.49) KMT2AALDH1A1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3159342-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR CISEN PHARMACEUTICAL CO LTD (CN) 2020-08-05 — — EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 KMT2A 2441/4885L3MBTL1 2095/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KMT2A 2459/4885L3MBTL1 1465/4885ALDH1A1 728/4885

“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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