SCHEMBL6307067

SCHEMBL6307067

CSc1nc(N)nc(-c2ccccc2F)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.69
HSP90AB1 P08238 2/20 0.61
MAPK1 P28482 1/20 0.50
ADORA2A P29274 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ADORA1 P30542 4/20 0.42
ALDH1A1 P00352 1/20 0.41
DHPS P49366 1/20 0.39
MPL P40238 1/20 0.39
IDH1 O75874 1/20 0.38

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
SCHEMBL669913 0.82 SMN1; SMN2 (0.59) HSP90AA1MAPK1ADORA2ASMN1; SMN2ADORA1
SCHEMBL29803060 0.82 SMN1; SMN2 (0.59) HSP90AA1MAPK1ADORA2ASMN1; SMN2ADORA1
SCHEMBL17156503 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1MAPK1ADORA2AADORA1
SCHEMBL4086070 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAPK1ADORA2ASMN1; SMN2
SCHEMBL9565604 0.77 KDM4E (0.53) HSP90AA1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4093530 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL1704219 0.74 KDM4E (0.69) HSP90AA1HSP90AB1MAPK1ADORA2ASMN1; SMN2
SCHEMBL23405305 0.74 MAPK1 (0.41) HSP90AA1MAPK1ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL6310578 0.73 HSP90AA1 (0.70) HSP90AA1HSP90AB1ADORA2ASMN1; SMN2ADORA1
SCHEMBL27826457 0.73 MPL (0.45) HSP90AA1MAPK1ADORA2ASMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 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 (1 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSP90AA1 1676/4885HSP90AB1 1191/4885MAPK1 2892/4885

“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.