SCHEMBL15934909

SCHEMBL15934909

CC(C)c1nc(Cl)cn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
BRD4 O60885 2/20 0.35
SCD O00767 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
GLP1R P43220 2/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL16503630 0.79 TDP1 (0.35) ALDH1A1TDP1
SCHEMBL22016208 0.78 CHRNB2 (0.35) BRD4TDP1
SCHEMBL859740 0.75 BRD4 (0.39) ALDH1A1BRD4SCDBAZ2AGAA
SCHEMBL9663584 0.72 BRD4 (0.37) ALDH1A1BRD4SCDBAZ2AGAA
SCHEMBL25211753 0.70 BRD4 (0.48) BRD4BAZ2A
SCHEMBL13058495 0.69 BRD4 (0.35) ALDH1A1BRD4SCDBAZ2AGAA
SCHEMBL22579430 0.67 BRD4 (0.37) ALDH1A1BRD4SCDTDP1BAZ2A
SCHEMBL27031491 0.65
SCHEMBL10567408 0.65 KMT2A (0.38) ALDH1A1BRD4SCDTDP1GAA
SCHEMBL31248725 0.63 HSD17B10 (0.39) BRD4TDP1HPGD

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-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 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-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885BRD4 305/4885SCD 4311/4885

“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.