SCHEMBL19104682

SCHEMBL19104682

CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 2/20 0.69
▸ KMT2A Q03164 3/20 0.62
▸ PARP1 P09874 3/20 0.61
▸ PDE10A Q9Y233 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ RAB9A P51151 2/20 0.57
▸ PARP2 Q9UGN5 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL30176853 1.00 TNKS2 (0.69) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL28761526 0.84 TNKS2 (0.64) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL18824365 0.83 KMT2A (0.64) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL30176850 0.81 TNKS2 (1.00) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL3826724 0.81 TNKS2 (1.00) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL22649480 0.81 TNKS2 (0.47) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL16404338 0.81 PDE10A (0.84) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL19104691 0.80 PARP14 (0.53) TNKS2KMT2APARP1MEN1RAB9A
SCHEMBL14256465 0.80 TNKS2 (0.63) TNKS2KMT2APARP1PDE10AMEN1
SCHEMBL19104685 0.80 MAPT (0.47) TNKS2KMT2APARP1MEN1RAB9A

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-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-11-25 — — US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 — — US disclosed
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2017-07-13 — — 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 (3 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 TNKS2 2192/4885KMT2A 3822/4885PARP1 751/4885
US-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 TNKS2 4481/4885KMT2A 3149/4885PARP1 4526/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 TNKS2 4481/4885KMT2A 3149/4885PARP1 4526/4885

“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.

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