SCHEMBL22358258

SCHEMBL22358258

CC(C)n1ncc2ccc(-c3nsc(C4=CCN(C(=O)OC(C)(C)C)CC4)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
CDK7 P50613 1/20 0.40
CDK13 Q14004 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
WNT3A P56704 1/20 0.40
PDK4 Q16654 1/20 0.40
NAMPT P43490 1/20 0.40
ATR Q13535 2/20 0.40
GRM1 Q13255 6/20 0.39
GRM5 P41594 5/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KIT P10721 1/20 0.38
BTK Q06187 1/20 0.38
JAK1 P23458 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
SCHEMBL20116505 0.84 GPR119 (0.41) GPR119CDK7CDK13CDK12WNT3A
SCHEMBL22358008 0.83 ATR (0.43) GPR119CDK7CDK13CDK12WNT3A
SCHEMBL20117184 0.81 GRM1 (0.48) GPR119PDK4NAMPTGRM1GRM5
SCHEMBL30720958 0.81 GRM1 (0.48) GPR119PDK4NAMPTGRM1GRM5
SCHEMBL22358271 0.79 PTGER3 (0.44) GPR119
SCHEMBL22358017 0.78 GPR119 (0.41) GPR119CDK7CDK13CDK12WNT3A
SCHEMBL29197647 0.76 NAMPT (0.50) CDK7CDK13CDK12WNT3APDK4
SCHEMBL30112338 0.76 NAMPT (0.50) CDK7CDK13CDK12WNT3APDK4
SCHEMBL15054200 0.75 CCR4 (0.46) CDK7CDK13CDK12PDK4NAMPT
SCHEMBL15054202 0.75 CCR4 (0.46) CDK7CDK13CDK12PDK4NAMPT

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GPR119 2922/4885CDK7 2501/4885CDK13 2574/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GPR119 2922/4885CDK7 2501/4885CDK13 2574/4885

“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.