SCHEMBL6842763

SCHEMBL6842763

Cc1nn2ccc(OCCN3CCNC(=O)C3)cc2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 2/20 0.34
EGFR P00533 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
THRB P10828 2/20 0.32
CD274 Q9NZQ7 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
GRM5 P41594 1/20 0.31
PDE2A O00408 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
SYK P43405 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
SCHEMBL16937970 0.91 ADCY10 (0.35) ADCY10EGFRCTSSCTSKADORA2A
SCHEMBL954942 0.89 ADCY10 (0.35) ADCY10EGFRCTSSCTSKADORA2A
SCHEMBL6842761 0.88 HRH3 (0.35) ADORA2AADORA1HRH3
SCHEMBL953783 0.88 HRH3 (0.42) ADORA2AADORA1HRH3PDE2AADORA3
SCHEMBL956402 0.87 ADORA2A (0.40) ADORA2AADORA1PDE2AADORA3ADORA2B
SCHEMBL6842766 0.87 HRH3 (0.35) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL6842759 0.86 HRH3 (0.34) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL12918322 0.86 LTA4H (0.36) HRH3
SCHEMBL6842765 0.86 SIGMAR1 (0.38) HRH3
SCHEMBL6842762 0.86 ALK (0.35) 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 ADCY10 2496/4885EGFR 1084/4885CTSS 4093/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ADCY10 3002/4885EGFR 918/4885CTSS 1752/4885

“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.