SCHEMBL19104683

SCHEMBL19104683

COc1ccc2nc(CC(C)(C)C)cc(=O)n2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.56
▸ KDM4E B2RXH2 10/20 0.47
▸ MAPT P10636 9/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ METTL3 Q86U44 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.40
▸ LMNA P02545 4/20 0.40
▸ POLB P06746 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL17298034 0.85 PKM (0.59) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19104677 0.82 KDM4E (0.57) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19116406 0.81 PKM (0.56) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19104679 0.81 KDM4E (0.52) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19104681 0.81 KDM4E (0.56) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL19104696 0.81 GRIN1 (0.49) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19116398 0.77 METTL3 (0.43) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26584231 0.77 PKM (0.50) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26120142 0.76 PKM (0.49) PKMKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL26119458 0.76 PKM (0.52) PKMKDM4EMAPTALDH1A1SMN1; 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 6 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-10988475-B2 Agonists of the apelin receptor and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-04-27 — — US disclosed
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 — — 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 (5 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 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 PKM 4145/4885KDM4E 4185/4885MAPT 4140/4885

“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.

Send feedback