SCHEMBL3615337

SCHEMBL3615337

O=C(N[C@@H]1CCNC1)c1cc2c(Cl)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.50
PYGM P11217 1/20 0.50
PARP1 P09874 2/20 0.47
JAK2 O60674 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
KDR P35968 1/20 0.45
SMYD3 Q9H7B4 2/20 0.45
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
FLT3 P36888 2/20 0.44
DRD4 P21917 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NUDT1 P36639 1/20 0.42
MAPK14 Q16539 2/20 0.41

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
SCHEMBL3596393 1.00 PYGL (0.50) PYGLPYGMPARP1JAK2HRH4
SCHEMBL3596390 1.00 PYGL (0.50) PYGLPYGMPARP1JAK2HRH4
SCHEMBL3614229 0.93 PARP1 (0.49) PYGLPYGMPARP1HRH4MAPK14
SCHEMBL3614233 0.93 PARP1 (0.49) PYGLPYGMPARP1HRH4MAPK14
Trifluoroacetic Acid SCHEMBL3595860 0.93 CDK5 (0.46) PYGLPYGMPARP1JAK2HRH4
Trifluoroacetic Acid SCHEMBL3605047 0.93 CDK5 (0.46) PYGLPYGMPARP1JAK2HRH4
SCHEMBL3605258 0.86 PARP1 (0.47) PARP1HRH4KDRSMYD3FLT3
SCHEMBL3615341 0.86 PARP1 (0.47) PARP1HRH4KDRSMYD3FLT3
SCHEMBL3605675 0.86 SMYD3 (0.50) PARP1JAK2KDRSMYD3FLT3
SCHEMBL3605261 0.86 PARP1 (0.47) PARP1HRH4KDRSMYD3FLT3

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT PYGL 531/4885PYGM 3216/4885PARP1 156/4885

“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.