SCHEMBL11990201

SCHEMBL11990201

CC[C@H](C)C1CCN(S(=O)(=O)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
FAAH O00519 1/20 0.39
CCL5 P13501 1/20 0.34
CCR5 P51681 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NPY5R Q15761 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP1 O94782 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL15722324 1.00 EPHX2 (0.43) EPHX2FAAHCCL5CCR5MMP13
SCHEMBL16361463 0.84 L3MBTL1 (0.42) EPHX2SMN1; SMN2KMT2AALDH1A1
SCHEMBL25475948 0.82 CA1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL21255651 0.82 TP53 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2603251 0.82 EPHX2 (0.46) EPHX2FAAHCCL5CCR5MMP13
SCHEMBL11989592 0.79 EPHX2 (0.39) EPHX2FAAHCCL5CCR5MMP13
SCHEMBL13154396 0.78 EPHX2 (0.44) EPHX2FAAHCCL5CCR5MMP13
SCHEMBL11989593 0.76 EPHX2 (0.42) EPHX2FAAHCCL5CCR5MMP13
SCHEMBL22174785 0.76 TSHR (0.41) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2606113 0.75 EPHX2 (0.47) EPHX2FAAHMEN1KMT2AALDH1A1

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-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 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-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 EPHX2 1649/4885FAAH 3516/4885CCL5 1568/4885

“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.