SCHEMBL12558178

SCHEMBL12558178

CCN(CC)C1CCN(c2ccc(Cl)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.49
▸ CHRNA4 P43681 6/20 0.49
▸ CHRNB4 P30926 6/20 0.49
▸ CHRNA3 P32297 6/20 0.49
▸ CDK4 P11802 5/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41

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
SCHEMBL31093338 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CDK4
SCHEMBL12558175 0.84 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CDK4
SCHEMBL13769033 0.83 CDK4 (0.43) CDK4CDK6CCND1CDK2
SCHEMBL29998481 0.76 CHRNB4 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL8728925 0.75 ADRB1 (0.46) CDK4AKR1C3
SCHEMBL4827592 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL27042090 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL8728922 0.74 L3MBTL3 (0.37) CDK4CDK6CCND1CDK2
SCHEMBL5547166 0.74 SMN1; SMN2 (0.39) CDK4CDK6CCND1CDK2
SCHEMBL5254754 0.74 ALDH1A1 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 — — 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-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-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 — — US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 — — US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 — — US disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 — — WO 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 CHRNB2 4767/4885CHRNA4 4362/4885CHRNB4 4697/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CHRNB2 4767/4885CHRNA4 4362/4885CHRNB4 4697/4885

“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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