SCHEMBL19116398

SCHEMBL19116398

CC(C)(C)Cc1cc(=O)n2cc(C#N)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 2/20 0.43
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RXFP1 Q9HBX9 4/20 0.40
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2A Q12879 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 3/20 0.37

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
SCHEMBL17297965 0.85 METTL3 (0.45) METTL3KDM4EALDH1A1NPC1RAB9A
SCHEMBL19104677 0.81 KDM4E (0.57) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL19104681 0.80 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL19104696 0.80 GRIN1 (0.49) METTL3KDM4EALDH1A1NPC1RAB9A
SCHEMBL19104679 0.80 KDM4E (0.52) METTL3KDM4EALDH1A1NPC1RAB9A
SCHEMBL19104683 0.77 PKM (0.56) METTL3KDM4EALDH1A1NPC1RAB9A
SCHEMBL26853240 0.73 PKM (0.52) METTL3KDM4EMAPTRXFP1GRIN1
SCHEMBL19104678 0.70 KDM4E (0.60) METTL3KDM4EALDH1A1MAPTPOLB
SCHEMBL22393759 0.67 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL32688356 0.66 ALDH1A3 (0.47) KDM4EALDH1A1NPC1RAB9AMAPT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10570128-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 METTL3 2120/4885KDM4E 4185/4885ALDH1A1 2095/4885
US-10988475-B2 Agonists of the apelin receptor and methods of use thereof APLNR, AGTR1, AGTR2 METTL3 2120/4885KDM4E 4185/4885ALDH1A1 2095/4885
US-20170197958-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 METTL3 2120/4885KDM4E 4185/4885ALDH1A1 2095/4885
US-20200354355-A1 AGONISTS OF THE APELIN RECEPTOR AND METHODS OF USE THEREOF APLNR, AGTR1, AGTR2 METTL3 2120/4885KDM4E 4185/4885ALDH1A1 2095/4885

“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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