SCHEMBL22202059

SCHEMBL22202059

Cc1cnc2[nH]nc(C(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NAAA Q02083 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
SCHEMBL15785636 0.84 CYP2C19 (0.36) PDK2PDK4
SCHEMBL21370420 0.82 GRM4 (0.30)
SCHEMBL28615618 0.81 DYRK1B (0.41) KDM4E
SCHEMBL24198036 0.81 GRM4 (0.34)
SCHEMBL18352531 0.78 METAP2 (0.31)
SCHEMBL2616774 0.77 PDK2 (0.36) PDK2PDK4CCR1CCR5CCR8
SCHEMBL25091061 0.76 GRM4 (0.31)
SCHEMBL14044896 0.76 NOS3 (0.47) PDK2PDK4CCR1CCR5CCR8
SCHEMBL21128112 0.74 PDK2 (0.35) PDK2PDK4CCR1CCR5CCR8
SCHEMBL23473993 0.74 PDK2 (0.35) PDK2PDK4CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2020-07-09 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 (3 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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP PDK2 1831/4885PDK4 1220/4885CCR1 4401/4885
US-20200216465-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 PDK2 562/4885PDK4 842/4885CCR1 743/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDK2 442/4885PDK4 604/4885CCR1 4485/4885

“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.