SCHEMBL20986012

SCHEMBL20986012

O=[N+]([O-])c1ccc2c(c1)ncn2CC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.51
▸ BRD4 O60885 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NR1I2 O75469 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL7034432 0.83 FGFR1 (0.48) PKMALDH1A1MAPTMAPK1POLB
SCHEMBL22449399 0.82 ALDH1A1 (0.58) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911377 0.80 PKM (0.64) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL11797084 0.80 PKM (0.64) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL9570463 0.79 PKM (0.70) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911366 0.78 PKM (0.68) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL7034458 0.78 PKM (0.68) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911363 0.77 PKM (0.57) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL22449397 0.77 ALDH1A1 (0.56) PKMALDH1A1BRD4KCNH2MAPT
SCHEMBL19911365 0.77 PKM (0.60) PKMALDH1A1BRD4KCNH2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 — — US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 — — 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 (2 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-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB PKM 254/4885ALDH1A1 4070/4885BRD4 765/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB PKM 254/4885ALDH1A1 4070/4885BRD4 765/4885

“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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