SCHEMBL12556830

SCHEMBL12556830

CB(O)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ GAA P10253 6/20 0.58
▸ GFER P55789 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ ADRA2C P18825 4/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PTK2B Q14289 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ CASP6 P55212 1/20 0.54
▸ LMNA P02545 5/20 0.53
▸ HTT P42858 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL9915611 0.81 AKR1C3 (0.46) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL9915610 0.81 CHRNA7 (0.50) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL14617528 0.81 ADRA2C (0.62) MAPTALDH1A1GFERKDM4EADRA2C
SCHEMBL23347931 0.79 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL7043679 0.79 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL6151120 0.79 MAPT (0.77) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL9915612 0.79 CHKA (0.57) MAPTALDH1A1GAAGFERKDM4E
SCHEMBL15502286 0.75 SIRT6 (0.64) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL12246325 0.75 GRIN2D (0.46) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6414948 0.74 MAPT (1.00) MAPTALDH1A1GAAGFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 — — US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 — — US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 — — US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 — — US disclosed
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 — — US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 — — US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 — — US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 — — US disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 — — US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 — — 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 (6 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR MAPT 2971/4885ALDH1A1 1985/4885GAA 2534/4885
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 MAPT 2440/4885ALDH1A1 1917/4885GAA 3166/4885
US-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR MAPT 3347/4885ALDH1A1 2289/4885GAA 1873/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR MAPT 3456/4885ALDH1A1 2096/4885GAA 1635/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR MAPT 3347/4885ALDH1A1 2289/4885GAA 1873/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 MAPT 2440/4885ALDH1A1 1917/4885GAA 3166/4885

“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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