SCHEMBL4299142

SCHEMBL4299142

COc1ccc2c3c(n(CCC#N)c2c1)C(C)N(CCC#N)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MYLK Q15746 4/20 0.38
▸ PDE5A O76074 4/20 0.38
▸ MAOA P21397 3/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK4 Q9NR20 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.36
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL8758061 0.76 DYRK1A (0.53) KDM4EMAPK1HTTMYLKMAOA
SCHEMBL30148139 0.71 SLC6A4 (0.43) KDM4EHSD17B10PDE5AMAOASLC6A4
SCHEMBL30148102 0.65 AKR1B10 (0.49) ALDH1A1MAPK1
SCHEMBL23150359 0.65 DYRK1A (0.79) MAOADYRK1A
SCHEMBL30148132 0.64 MAPKAPK2 (0.55) KDM4EALDH1A1HSD17B10SLC6A4
SCHEMBL11630829 0.62 HTR2A (0.46) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL9434302 0.61 DRD1 (0.47) KDM4E
SCHEMBL6168228 0.61 KDM4E (0.46) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL8112503 0.60 HTR2C (0.63) KDM4EALDH1A1HTTHSD17B10KDM2B
SCHEMBL11688882 0.60 GRIK1 (0.68) KDM4EALDH1A1HSD17B10MYLKMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 — — US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 — — US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 — — US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 — — US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 — — US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885ALDH1A1 1514/4885MAPK1 1841/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885ALDH1A1 1514/4885MAPK1 1841/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885ALDH1A1 1514/4885MAPK1 1841/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885ALDH1A1 1514/4885MAPK1 1841/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 KDM4E 1731/4885ALDH1A1 1607/4885MAPK1 1735/4885

“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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