SCHEMBL19225666

SCHEMBL19225666

CCC(C)(C)c1ccnc(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
HMGCR P04035 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL12967092 0.81 SYK (0.36) AAK1HRH4LMNAMAPK1
SCHEMBL20892048 0.78 HCRTR1 (0.37) AAK1HRH4
SCHEMBL20892042 0.78 AAK1 (0.36) AAK1HRH4
SCHEMBL16843175 0.78 IDH1 (0.36) AAK1HRH4
SCHEMBL2632658 0.76 IDH1 (0.42) HRH4
SCHEMBL22681503 0.75 SORD (0.33) AAK1HMGCR
SCHEMBL23671169 0.74 TDP1 (0.35) NPC1RAB9A
SCHEMBL18879260 0.74 NUDT1 (0.47) HRH4NPC1RAB9A
SCHEMBL18532095 0.74 ADORA2A (0.34) HMGCRNPC1RAB9A
SCHEMBL21017097 0.72 PLK1 (0.38) AAK1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 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-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 AAK1 822/4885HMGCR 4421/4885HRH4 4308/4885

“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.