SCHEMBL2628885

SCHEMBL2628885

N#Cc1ccnc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ DYRK1A Q13627 3/20 0.40
▸ LRRK2 Q5S007 7/20 0.38
▸ ROCK2 O75116 5/20 0.36
▸ ROCK1 Q13464 5/20 0.36
▸ CDC42BPB Q9Y5S2 5/20 0.36
▸ CDC42BPA Q5VT25 4/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ NFATC1 O95644 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB3 P21860 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ MCL1 Q07820 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32

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
SCHEMBL15718817 0.81 MAPK1 (0.41) MAPK1DYRK1A
Quinoline SCHEMBL27950148 0.70 ALDH1A1 (0.49) MAPK1DYRK1ALRRK2GSK3BNFATC1
SCHEMBL1473042 0.69 MAPK1 (0.45) MAPK1DYRK1AEGFRERBB2ERBB3
SCHEMBL21938395 0.69 MAPK1 (0.45) MAPK1DYRK1A
SCHEMBL30167002 0.69 MAPK1 (0.45) MAPK1DYRK1AEGFRERBB2ERBB3
SCHEMBL24348992 0.69 MAPK1 (0.45) MAPK1DYRK1A
SCHEMBL1473269 0.69 DYRK1A (0.53) MAPK1DYRK1ALRRK2EGFRERBB2
SCHEMBL2628882 0.69 MAPK1 (0.45) MAPK1DYRK1A
SCHEMBL29691438 0.69 DYRK1A (0.53) MAPK1DYRK1ALRRK2EGFRERBB2
SCHEMBL27813658 0.69 PRKCI (0.48) MAPK1DYRK1AGSK3B

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270757-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2024-08-15 — — US disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 — — US disclosed
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 — — EP disclosed
EP-3052496-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-11-28 — — EP disclosed
US-10072005-B2 4-azaindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-09-11 — — US disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 — — US disclosed
US-20180208593-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-07-26 — — US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 — — US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 — — US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 — — US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 — — US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 — — US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 — — US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 — — US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 — — 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 (8 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-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MAPK1 4706/4885DYRK1A 4605/4885LRRK2 4151/4885
US-20240270757-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI MAPK1 785/4885DYRK1A 3331/4885LRRK2 2082/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT MAPK1 4672/4885DYRK1A 4148/4885LRRK2 1734/4885
US-10072005-B2 4-azaindole derivatives CHRM1, CHRM4, CHRM2 MAPK1 3364/4885DYRK1A 523/4885LRRK2 104/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MAPK1 4706/4885DYRK1A 4605/4885LRRK2 4151/4885
US-20180208593-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 MAPK1 3364/4885DYRK1A 523/4885LRRK2 104/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT MAPK1 4541/4885DYRK1A 3163/4885LRRK2 4211/4885
US-20230357279-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI MAPK1 785/4885DYRK1A 3331/4885LRRK2 2082/4885

“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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