SCHEMBL19104685

SCHEMBL19104685

Cc1ccc2c(=O)[nH]c(CC(C)(C)C)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ PARP1 P09874 3/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PARP14 Q460N5 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4C Q9H3R0 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
SCHEMBL19104691 0.88 PARP14 (0.53) MAPTNPC1KMT2AMEN1TDP1
SCHEMBL19104694 0.84 LMNA (0.54) MAPTNPC1KMT2AMEN1TDP1
SCHEMBL19104689 0.84 PARP14 (0.52) PARP1SMN1; SMN2TNKS2KDM4ERECQL
SCHEMBL17298075 0.83 TNKS2 (0.64) MAPTNPC1KMT2AMEN1TDP1
SCHEMBL30120759 0.82 KDM4E (0.63) MAPTNPC1KMT2AMEN1TDP1
SCHEMBL6930954 0.82 KDM4E (0.63) MAPTNPC1KMT2AMEN1TDP1
SCHEMBL19116631 0.82 ALDH1A1 (0.56) MAPTKMT2AMEN1TDP1PARP1
SCHEMBL19104682 0.80 TNKS2 (0.69) MAPTNPC1KMT2AMEN1PARP1
SCHEMBL30176853 0.80 TNKS2 (0.69) MAPTNPC1KMT2AMEN1PARP1
SCHEMBL11955227 0.78 KMT2A (0.50) MAPTNPC1KMT2AMEN1TDP1

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 MAPT 4140/4885NPC1 1465/4885KMT2A 3149/4885
US-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 MAPT 4140/4885NPC1 1465/4885KMT2A 3149/4885
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 MAPT 4140/4885NPC1 1465/4885KMT2A 3149/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 MAPT 4140/4885NPC1 1465/4885KMT2A 3149/4885
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 MAPT 4140/4885NPC1 1465/4885KMT2A 3149/4885

“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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