Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842762

SCHEMBL6842762

SCHEMBL6842762

Cc1nn2ccc(OCCN3CCN(S(C)(=O)=O)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 1/20 0.35
▸ ADORA2A P29274 6/20 0.34
▸ ADORA1 P30542 6/20 0.34
▸ HRH3 Q9Y5N1 5/20 0.33
▸ ADORA3 P0DMS8 4/20 0.32
▸ ADORA2B P29275 4/20 0.32
▸ KDR P35968 2/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ JAK2 O60674 4/20 0.31
▸ JAK3 P52333 4/20 0.31
▸ PTK2 Q05397 3/20 0.31
▸ YES1 P07947 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ LCK P06239 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL6842761 0.92 HRH3 (0.35) ADORA2AADORA1HRH3RAB9ASRC
SCHEMBL6842766 0.90 HRH3 (0.35) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL953783 0.90 HRH3 (0.42) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL16937980 0.90 ALK (0.35) ALKADORA2AADORA1HRH3ADORA3
SCHEMBL6842765 0.89 SIGMAR1 (0.38) ALKHRH3KDRDRD2DRD3
SCHEMBL952131 0.89 ALK (0.35) ALKADORA2AADORA1HRH3ADORA3
SCHEMBL956402 0.89 ADORA2A (0.40) ADORA2AADORA1ADORA3ADORA2BRAB9A
SCHEMBL12918322 0.88 LTA4H (0.36) HRH3
SCHEMBL6842759 0.88 HRH3 (0.34) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL6842760 0.88 HRH3 (0.34) ADORA2AADORA1HRH3ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US 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-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-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
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 ALK 485/4885ADORA2A 2838/4885ADORA1 2457/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ALK 950/4885ADORA2A 1184/4885ADORA1 1568/4885

“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.