SCHEMBL19104689

SCHEMBL19104689

CC(C)(C)Cc1nc2cc(F)ccc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 2/20 0.52
▸ ENPP1 P22413 1/20 0.49
▸ TNKS2 Q9H2K2 3/20 0.43
▸ PARP1 P09874 4/20 0.43
▸ TNKS O95271 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ ALPL P05186 1/20 0.40

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
SCHEMBL19104698 0.89 PARP1 (0.55) PARP14ENPP1TNKS2PARP1TNKS
SCHEMBL19104685 0.84 MAPT (0.47) PARP14TNKS2PARP1KDM4ERECQL
SCHEMBL17298079 0.84 TNKS2 (0.62) PARP14ENPP1TNKS2PARP1KDM4E
SCHEMBL19116631 0.83 ALDH1A1 (0.56) TNKS2PARP1TNKSKDM4EALDH1A1
SCHEMBL19104694 0.83 LMNA (0.54) KDM4ERECQLALDH1A1SMN1; SMN2LMNA
SCHEMBL19116440 0.81 KDM4C (0.59) PARP14ENPP1TNKS2PARP1KDM4E
SCHEMBL29978378 0.81 KDM4E (0.63) PARP14ENPP1TNKS2PARP1KDM4E
SCHEMBL21072570 0.81 KDM4E (0.63) PARP14ENPP1TNKS2PARP1KDM4E
SCHEMBL19104682 0.79 TNKS2 (0.69) TNKS2PARP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30176853 0.79 TNKS2 (0.69) TNKS2PARP1KDM4EALDH1A1SMN1; SMN2

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-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-11-25 — — US disclosed
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-02-25 — — 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
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-20210363142-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PARP14 3642/4885ENPP1 2346/4885TNKS2 4481/4885
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 PARP14 3642/4885ENPP1 2346/4885TNKS2 4481/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PARP14 3642/4885ENPP1 2346/4885TNKS2 4481/4885

“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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