SCHEMBL1982257

SCHEMBL1982257

Clc1ccc(N2CCC3(CC2)OCCO3)cn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.54
CHRNA3 P32297 6/20 0.54
CHRNB2 P17787 6/20 0.54
CHRNA4 P43681 6/20 0.54
AKR1C3 P42330 1/20 0.51
LGMN Q99538 1/20 0.45
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL12595116 0.81 LGMN (0.45) LGMNPOLBNPC1ALDH1A1RAB9A
SCHEMBL30643586 0.81 PIK3CA (0.52) LGMNPOLBNPC1ALDH1A1RAB9A
SCHEMBL13769353 0.81 PIK3CA (0.52) LGMNPOLBNPC1ALDH1A1RAB9A
SCHEMBL29695798 0.81 CHRNB2 (0.55) CHRNB2CHRNA4LGMNPOLBNPC1
SCHEMBL29998481 0.79 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL5546662 0.78 POLB (0.55) AKR1C3LGMNPOLBALDH1A1SMN1; SMN2
SCHEMBL29552004 0.78 AKR1C3 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL5198623 0.78 AKR1C3 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL171585 0.77 LGMN (0.47) LGMNPOLBNPC1ALDH1A1RAB9A
SCHEMBL31198966 0.77 NR1H4 (0.43) AKR1C3LGMNPOLBNPC1ALDH1A1

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 13 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-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-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-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
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 CHRNB4 4697/4885CHRNA3 4724/4885CHRNB2 4767/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CHRNB4 4697/4885CHRNA3 4724/4885CHRNB2 4767/4885

“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.