SCHEMBL4493764

SCHEMBL4493764

CCC(C)(C)Cc1cc(F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.50
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
DPP4 P27487 5/20 0.36
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
HTR2A P28223 2/20 0.35
BRS3 P32247 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL20427979 0.87 RIPK1 (0.45) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL13548281 0.85 RIPK1 (0.49) RIPK1NR3C1NR3C2HTR2CHTR2A
SCHEMBL28970933 0.82 RIPK1 (0.47) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4404016 0.82 RIPK1 (0.46) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL25039130 0.78 P2RX7 (0.40) RIPK1NR3C1NR3C2MAPTSMN1; SMN2
SCHEMBL13501598 0.78 DPP4 (0.46) RIPK1DPP4
SCHEMBL20988671 0.76 RIPK1 (0.47) RIPK1NR3C1NR3C2MAPT
SCHEMBL24244774 0.75 RIPK1 (0.37) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL861831 0.74 RIPK1 (0.50) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL12841965 0.74 HTR2A (0.36) RIPK1HTR2CSLC6A4HTR2A

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK RIPK1 182/4885PSEN1 4047/4885PSEN2 4517/4885

“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.