SCHEMBL3605258

SCHEMBL3605258

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
ALB P02768 10/20 0.47
IL2 P60568 10/20 0.47
HRH4 Q9H3N8 1/20 0.46
KDR P35968 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44
KLKB1 P03952 2/20 0.44
MLLT1 Q03111 1/20 0.44
FLT3 P36888 1/20 0.44
TNF P01375 1/20 0.43

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
SCHEMBL3605261 1.00 PARP1 (0.47) PARP1ALBIL2HRH4KDR
SCHEMBL3615341 1.00 PARP1 (0.47) PARP1ALBIL2HRH4KDR
Trifluoroacetic Acid SCHEMBL3612189 0.94 ALB (0.47) PARP1ALBIL2HRH4KDR
Trifluoroacetic Acid SCHEMBL3606633 0.94 ALB (0.47) PARP1ALBIL2HRH4KDR
SCHEMBL3597204 0.93 CDK2 (0.50) PARP1DYRK1AMLLT1
SCHEMBL3597200 0.93 CDK2 (0.50) PARP1DYRK1AMLLT1
SCHEMBL3596393 0.86 PYGL (0.50) PARP1HRH4KDRSMYD3FLT3
SCHEMBL3605675 0.86 SMYD3 (0.50) PARP1KDRSMYD3FLT3
SCHEMBL3611578 0.86 SMYD3 (0.50) PARP1KDRSMYD3FLT3
SCHEMBL3596390 0.86 PYGL (0.50) 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 PARP1 156/4885ALB 4386/4885IL2 601/4885

“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.