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SCHEMBL10298367

SCHEMBL10298367

[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)O)c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ PIK3CA P42336 2/20 0.41
▸ LMNA P02545 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL10298342 0.92 PIK3CA (0.39) KMT2APIK3CALMNAGAAMCOLN3
SCHEMBL10298365 0.90 HTT (0.37) KMT2APIK3CALMNAGAAMEN1
SCHEMBL10298361 0.90 PIK3CA (0.49) PIK3CALMNAMAPTHSD17B10ALDH1A1
SCHEMBL10298359 0.89 KMT2A (0.39) KMT2APIK3CALMNAMEN1MAPT
SCHEMBL10298360 0.86 PIK3CA (0.39) PIK3CAGAAMAPTHTTHSD17B10
SCHEMBL10298354 0.86 HSD17B10 (0.40) KMT2APIK3CALMNAHSD17B10ALDH1A1
SCHEMBL10298503 0.86 HSD17B10 (0.36) KMT2APIK3CALMNAGAAMEN1
SCHEMBL10298509 0.85 HSD17B10 (0.34) PIK3CAPIK3C2BHSD17B10ALDH1A1CYP1A2
SCHEMBL10298350 0.85 PIK3CA (0.38) KMT2APIK3CALMNAMEN1MAPT
SCHEMBL10298348 0.85 GAA (0.40) KMT2APIK3CAGAAMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 — — 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 KMT2A 1647/4885PIK3CA 5/4885LMNA 563/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 KMT2A 1647/4885PIK3CA 5/4885LMNA 563/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 KMT2A 1460/4885PIK3CA 5/4885LMNA 466/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 KMT2A 1460/4885PIK3CA 5/4885LMNA 466/4885

“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.