SCHEMBL17856438

SCHEMBL17856438

Cc1nnc(C)n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
NOTUM Q6P988 1/20 0.33
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
CCR5 P51681 2/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP11B2 P19099 3/20 0.30
CYP11B1 P15538 2/20 0.30
HCAR1 Q9BXC0 2/20 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
SCHEMBL20682653 0.89 GAA (0.44) GAARAB9AALDH1A1LMNACDK9
SCHEMBL714646 0.83 JAK2 (0.40) GAAALDH1A1ALOX15MAPTTDP1
Ammonia Solution, Strong SCHEMBL1763973 0.81 JAK2 (0.39) GAAALDH1A1ALOX15MAPTTDP1
SCHEMBL21303125 0.81 HSD11B1 (0.41) GAARAB9AALDH1A1CCR5
SCHEMBL25099832 0.81 HSD11B1 (0.41) GAARAB9AALDH1A1CCR5
SCHEMBL16447914 0.73 MEN1 (0.45) RAB9A
SCHEMBL25100164 0.73 HSD11B1 (0.33) RAB9ACCR5
SCHEMBL6246158 0.70 GAA (0.52) GAAALDH1A1CDK9CCNT1ALOX15
SCHEMBL23204990 0.67 ALDH1A1 (0.37) ALDH1A1LMNACDK9CCNT1NOTUM
SCHEMBL3594511 0.66 DPP4 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
US-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 US disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 GAA 1302/4885RAB9A 4529/4885ALDH1A1 2346/4885

“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.