SCHEMBL7770550

SCHEMBL7770550

Cc1nc(N)nc(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
HSP90AB1 P08238 1/20 0.43
ADORA2A P29274 2/20 0.42
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL15994399 0.87 HRH4 (0.52) HRH4ADORA2AADORA1NOS3NOS1
SCHEMBL1425789 0.84 HRH4 (0.50) HRH4ADORA2AADORA1NOS3NOS1
SCHEMBL12931233 0.84 HRH4 (0.30) HRH4
SCHEMBL11018291 0.81 HSP90AB1 (0.40) HRH4HSP90AB1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL2600738 0.81
SCHEMBL10710339 0.78 HSP90AB1 (0.41) HRH4HSP90AB1HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL664729 0.74
SCHEMBL36733 0.74
SCHEMBL6247828 0.73 HRH4 (0.43) HRH4ADORA2AHSP90AA1ALDH1A1ADORA1
Ammonia Solution, Strong SCHEMBL19469409 0.72 HSP90AB1 (0.55) HRH4HSP90AB1HSP90AA1ALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
US-10221197-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-05 US disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (5 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD HRH4 3774/4885HSP90AB1 475/4885ADORA2A 4383/4885
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD HRH4 2838/4885HSP90AB1 2773/4885ADORA2A 2077/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 HRH4 3134/4885HSP90AB1 592/4885ADORA2A 4435/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD HRH4 3774/4885HSP90AB1 475/4885ADORA2A 4383/4885
US-10221197-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PIK3CD HRH4 2838/4885HSP90AB1 2773/4885ADORA2A 2077/4885

“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.