SCHEMBL19735092

SCHEMBL19735092

CC(C)CCNC1CC(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLB1 P16278 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
EPHX2 P34913 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
GBA1 P04062 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
SCHEMBL21290455 0.81 HTT (0.37) CYP2C19GLB1EPHX2CCNT1CDK9
SCHEMBL21322291 0.81 HTT (0.37) CYP2C19GLB1EPHX2CCNT1CDK9
SCHEMBL3727110 0.77 EPHX2 (0.34) EPHX2
SCHEMBL22433200 0.73 GNAI3 (0.43) EPHX2GBA1
SCHEMBL4668397 0.73
SCHEMBL3726727 0.72
SCHEMBL3726725 0.72
SCHEMBL22672462 0.71
SCHEMBL20940116 0.71 GNAI3 (0.53) GBA1
SCHEMBL13323580 0.70 EPHX2 (0.35) EPHX2CCNT1CDK9

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-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-29 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 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-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1526/4885CYP1A2 1203/4885CYP3A4 752/4885
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 ALDH1A1 1526/4885CYP1A2 1203/4885CYP3A4 752/4885

“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.