SCHEMBL14289641

SCHEMBL14289641

CNCc1nc(-c2c[nH]c3ncccc23)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.47
GPR84 Q9NQS5 1/20 0.46
DYRK1A Q13627 4/20 0.45
CDC7 O00311 2/20 0.45
LATS1 O95835 1/20 0.44
LATS2 Q9NRM7 1/20 0.44
PDPK1 O15530 4/20 0.44
TGFBR1 P36897 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK5R1 Q15078 1/20 0.44
RET P07949 2/20 0.43
IKBKE Q14164 2/20 0.43
CAMKK2 Q96RR4 2/20 0.43
TBK1 Q9UHD2 2/20 0.43
RPS6KA5 O75582 2/20 0.42

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
SCHEMBL4789988 0.84 PDPK1 (0.49) JAK3GPR84DYRK1ACDC7LATS1
SCHEMBL5122984 0.83 CAMKK2 (0.51) JAK3DYRK1ACDC7CDK2CDK9
SCHEMBL5122742 0.77 ROCK2 (0.45) DYRK1ACDC7PDPK1CDK2RET
SCHEMBL5117005 0.76 TSHR (0.45) DYRK1APDPK1CDK9CDK5CAMKK2
SCHEMBL14311088 0.76 CDC7 (0.48) JAK3DYRK1ACDC7CDK2CDK9
SCHEMBL14289640 0.75 ADORA2A (0.44) CDC7PDPK1CAMKK2ROCK2ROCK1
SCHEMBL5115939 0.74 CAMKK2 (0.46) JAK3DYRK1ACDC7CDK2CDK9
SCHEMBL1050911 0.74 TGFBR1 (0.60) GPR84DYRK1ACDC7PDPK1TGFBR1
SCHEMBL5114855 0.74 ROCK2 (0.52) JAK3DYRK1ACDK2CDK5CCNA2
SCHEMBL30689228 0.72 SMN1; SMN2 (0.58) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA JAK3 1534/4885GPR84 3129/4885DYRK1A 1338/4885

“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.